1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide

C11H14ClN3O — CID 45275020

IUPAC1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H14ClN3O/c12-9-7-14-4-1-10(9)15-5-2-8(3-6-15)11(13)16/h1,4,7-8H,2-3,5-6H2,(H2,13,16)
InChIKeyPVPBWGKTSZOHHU-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide

1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275020) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275020
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H14ClN3O/c12-9-7-14-4-1-10(9)15-5-2-8(3-6-15)11(13)16/h1,4,7-8H,2-3,5-6H2,(H2,13,16)
InChIKeyPVPBWGKTSZOHHU-UHFFFAOYSA-N
XLogP1.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-pyridinyl)piperidine-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-chloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide (CID 45275020) is 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PVPBWGKTSZOHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-9-7-14-4-1-10(9)15-5-2-8(3-6-15)11(13)16/h1,4,7-8H,2-3,5-6H2,(H2,13,16).
What are the key properties of 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).