1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide

C18H23ClN2O2 — CID 804274

IUPAC1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-15-5-3-4-14(12-15)18(23)21-10-8-13(9-11-21)17(22)20-16-6-1-2-7-16/h3-5,12-13,16H,1-2,6-11H2,(H,20,22)
InChIKeyYCBRMYJKKVGQIY-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.25
Rot. Bonds3

About 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 804274) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
PubChem CID804274
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-15-5-3-4-14(12-15)18(23)21-10-8-13(9-11-21)17(22)20-16-6-1-2-7-16/h3-5,12-13,16H,1-2,6-11H2,(H,20,22)
InChIKeyYCBRMYJKKVGQIY-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorobenzoyl)-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-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide (CID 804274) is 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is YCBRMYJKKVGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-15-5-3-4-14(12-15)18(23)21-10-8-13(9-11-21)17(22)20-16-6-1-2-7-16/h3-5,12-13,16H,1-2,6-11H2,(H,20,22).
What are the key properties of 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 804274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).