4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

CovInDB Inhibitor

CI001860

Name

4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

Molecular Formula

C₂₄H₂₄ClN₃O₂

Molecular Weight

421.9 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)piperidine-1-carboxamide

InChI

InChI=1S/C24H24ClN3O2/c25-20-6-8-22(9-7-20)30-23-5-1-3-19(16-23)15-18-10-13-28(14-11-18)24(29)27-21-4-2-12-26-17-21/h1-9,12,16-18H,10-11,13-15H2,(H,27,29)

InChI Key

UQQRKBSIKSUFPE-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

421.9 g/mol

Computed by RDKit

logP

5.14

Computed by ALOGPS

logS

-5.39

Computed by ALOGPS

Heavy Atom Count

30

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

54.46 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.