4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide

C31H37N3O2 — CID 143789516

IUPAC4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc([C@@H](CC2CCCC2)c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C31H37N3O2/c35-31(34-27-16-19-32-20-17-27)26-10-8-24(9-11-26)30(21-23-5-1-2-6-23)25-12-14-29(15-13-25)36-22-28-7-3-4-18-33-28/h3-4,7-15,18,23,27,30,32H,1-2,5-6,16-17,19-22H2,(H,34,35)/t30-/m1/s1
InChIKeyFMVNAMVSLCXTGR-SSEXGKCCSA-N
MW483.66 g/mol
LogP5.85
Rot. Bonds9

About 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide

4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide (PubChem CID 143789516) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
PubChem CID143789516
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC Name4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc([C@@H](CC2CCCC2)c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C31H37N3O2/c35-31(34-27-16-19-32-20-17-27)26-10-8-24(9-11-26)30(21-23-5-1-2-6-23)25-12-14-29(15-13-25)36-22-28-7-3-4-18-33-28/h3-4,7-15,18,23,27,30,32H,1-2,5-6,16-17,19-22H2,(H,34,35)/t30-/m1/s1
InChIKeyFMVNAMVSLCXTGR-SSEXGKCCSA-N
XLogP5.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide
CID 160763331
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
[2-(cyclopentylamino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737778
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 70787674
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide (CID 143789516) is 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1ccc([C@@H](CC2CCCC2)c2ccc(OCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide?
The InChIKey is FMVNAMVSLCXTGR-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H37N3O2/c35-31(34-27-16-19-32-20-17-27)26-10-8-24(9-11-26)30(21-23-5-1-2-6-23)25-12-14-29(15-13-25)36-22-28-7-3-4-18-33-28/h3-4,7-15,18,23,27,30,32H,1-2,5-6,16-17,19-22H2,(H,34,35)/t30-/m1/s1.
What are the key properties of 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide?
4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide has a molecular weight of 483.66 g/mol, XLogP of 5.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 143789516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).