N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C22H28N4O — CID 647100

IUPACN-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H28N4O/c27-21(19-11-15-26(16-12-19)22-23-13-4-14-24-22)25-20-9-7-18(8-10-20)17-5-2-1-3-6-17/h4,7-10,13-14,17,19H,1-3,5-6,11-12,15-16H2,(H,25,27)
InChIKeyKUEVPJBPHIIFMW-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.38
Rot. Bonds4

About N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 647100) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID647100
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H28N4O/c27-21(19-11-15-26(16-12-19)22-23-13-4-14-24-22)25-20-9-7-18(8-10-20)17-5-2-1-3-6-17/h4,7-10,13-14,17,19H,1-3,5-6,11-12,15-16H2,(H,25,27)
InChIKeyKUEVPJBPHIIFMW-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

C-1368
CID 9549303
trans-N-(4-(2-(4-Phenyl-1-piperazinyl)ethyl)cyclohexyl)-2-pyrimidinamine
CID 3075615
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
Cgp-53716
CID 9864718
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 647100) is N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is KUEVPJBPHIIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(19-11-15-26(16-12-19)22-23-13-4-14-24-22)25-20-9-7-18(8-10-20)17-5-2-1-3-6-17/h4,7-10,13-14,17,19H,1-3,5-6,11-12,15-16H2,(H,25,27).
What are the key properties of N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 647100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).