1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide

C25H30ClN3O2 — CID 72703638

IUPAC1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN3O2/c26-21-10-8-19(9-11-21)24(30)28-23-7-3-4-18(16-23)17-29-14-12-20(13-15-29)25(31)27-22-5-1-2-6-22/h3-4,7-11,16,20,22H,1-2,5-6,12-15,17H2,(H,27,31)(H,28,30)
InChIKeyLVBQKJVDHOCPMK-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.86
Rot. Bonds6

About 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide

1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 72703638) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID72703638
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN3O2/c26-21-10-8-19(9-11-21)24(30)28-23-7-3-4-18(16-23)17-29-14-12-20(13-15-29)25(31)27-22-5-1-2-6-22/h3-4,7-11,16,20,22H,1-2,5-6,12-15,17H2,(H,27,31)(H,28,30)
InChIKeyLVBQKJVDHOCPMK-UHFFFAOYSA-N
XLogP4.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide (CID 72703638) is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is LVBQKJVDHOCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-21-10-8-19(9-11-21)24(30)28-23-7-3-4-18(16-23)17-29-14-12-20(13-15-29)25(31)27-22-5-1-2-6-22/h3-4,7-11,16,20,22H,1-2,5-6,12-15,17H2,(H,27,31)(H,28,30).
What are the key properties of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 72703638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).