CAS 302900-97-6|N-[2-[4-(2-Methoxyphenyl)piperizino]-1-methylethyl]-N-pyrid-2-ylcyclohexanecarboxamide|N-{1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl}-N-(pyridin-2-yl)cyclohexanecarboxamide|N-{...

General Information

Structure

Molecular Formula

C₂₆H₃₆N₄O₂

Molecular Mass

436.58964

Exact Mass

436.28382641

Charge

InChI

InChI=1S/C26H36N4O2/c1-21(20-28-16-18-29(19-17-28)23-12-6-7-13-24(23)32-2)30(25-14-8-9-15-27-25)26(31)22-10-4-3-5-11-22/h6-9,12-15,21-22H,3-5,10-11,16-20H2,1-2H3

InChIKey

MDUDKPOIYPKKNF-UHFFFAOYSA-N

Canonic Smiles

COc1ccccc1N1CCN(CC1)CC(N(C(=O)C1CCCCC1)c1ccccn1)C

Isomeric Smiles

N1(CCN(c2ccccc2OC)CC1)CC(C)N(c1ncccc1)C(=O)C1CCCCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0283036

LogD (pH = 7.4)

4.4222164

Log P

4.5810976

Molar Refractivity

128.8454

Polarizability

49.73784

Polar Surface Area

48.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-[2-[4-(2-Methoxyphenyl)piperizino]-1-methylethyl]-N-pyrid-2-ylcyclohexanecarboxamideN-{2-[4-(2-methoxyphenyl)piperazino]-1-methylethyl}-N-pyridin-2-ylcyclohexanecarboxamide

IUPAC Traditional name

N-{1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl}-N-(pyridin-2-yl)cyclohexanecarboxamide

IUPAC name

N-{1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl}-N-(pyridin-2-yl)cyclohexanecarboxamide

Names and Identifiers

Registration numbers

MDL Number

MFCD01566906

CAS Number

302900-97-6

PubChem SID

162039069