5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one

C22H29N3O — CID 162659556

IUPAC5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c[nH]1
InChIInChI=1S/C22H29N3O/c26-22-11-6-18(16-23-22)17-24-12-14-25(15-13-24)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-6,11,16,20-21H,7-10,12-15,17H2,(H,23,26)
InChIKeyXBNOINSOUBXUOE-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.22
Rot. Bonds4

About 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one

5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 162659556) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID162659556
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c[nH]1
InChIInChI=1S/C22H29N3O/c26-22-11-6-18(16-23-22)17-24-12-14-25(15-13-24)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-6,11,16,20-21H,7-10,12-15,17H2,(H,23,26)
InChIKeyXBNOINSOUBXUOE-UHFFFAOYSA-N
XLogP3.22
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
CID 156009105
5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 155289395
5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
CID 155289396
N-(3,3-diphenylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 7546299
N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyridin-1-yl)-acetamide
CID 44283921
(E)-3-(3,5-difluorophenyl)-N-(3-((4-(3,4-difluorophenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
CID 44444114
3-phenyl-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]acrylamide
CID 2295931
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]cinnamide
CID 13767784
(E)-N-(2-{4-[Methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-3-(2-methylphenyl)-2-propenamide
CID 16193538
(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide
CID 44524823
5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 162645531
5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 162668904

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 162659556) is 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one is O=c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c[nH]1.
What is the InChIKey of 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is XBNOINSOUBXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22-11-6-18(16-23-22)17-24-12-14-25(15-13-24)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-6,11,16,20-21H,7-10,12-15,17H2,(H,23,26).
What are the key properties of 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 351.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 162659556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).