N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide

C17H25N3O — CID 53013864

IUPACN-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C17H25N3O/c21-17(19-15-6-2-1-3-7-15)14-5-4-12-20(13-14)16-8-10-18-11-9-16/h8-11,14-15H,1-7,12-13H2,(H,19,21)
InChIKeyOPCCMAUYCFJYBY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.75
Rot. Bonds3

About N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide

N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 53013864) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID53013864
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C17H25N3O/c21-17(19-15-6-2-1-3-7-15)14-5-4-12-20(13-14)16-8-10-18-11-9-16/h8-11,14-15H,1-7,12-13H2,(H,19,21)
InChIKeyOPCCMAUYCFJYBY-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide (CID 53013864) is N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is OPCCMAUYCFJYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-15-6-2-1-3-7-15)14-5-4-12-20(13-14)16-8-10-18-11-9-16/h8-11,14-15H,1-7,12-13H2,(H,19,21).
What are the key properties of N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide?
N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 53013864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).