N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide

C17H24ClN3O — CID 133351817

IUPACN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccncc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-12-19-9-6-16(15)21-10-7-14(8-11-21)20-17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,20,22)
InChIKeyMVSJOHKUDXUWGM-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 133351817) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID133351817
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccncc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-12-19-9-6-16(15)21-10-7-14(8-11-21)20-17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,20,22)
InChIKeyMVSJOHKUDXUWGM-UHFFFAOYSA-N
XLogP3.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide 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

1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163343619
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
N-[1-(5-acetyl-2-cyanophenyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133442951
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 92580651

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide (CID 133351817) is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(c2ccncc2Cl)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is MVSJOHKUDXUWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-12-19-9-6-16(15)21-10-7-14(8-11-21)20-17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,20,22).
What are the key properties of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 133351817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).