5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one

C23H31N3O — CID 155289395

IUPAC5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-5,10,15-16,20,22H,6-9,11-14,17H2,1H3,(H,24,27)/t20-,22+
InChIKeyGNTPANYIJLPNBS-GRGXKFILSA-N
MW365.52 g/mol
LogP3.53
Rot. Bonds4

About 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one

5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 155289395) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID155289395
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-5,10,15-16,20,22H,6-9,11-14,17H2,1H3,(H,24,27)/t20-,22+
InChIKeyGNTPANYIJLPNBS-GRGXKFILSA-N
XLogP3.53
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.53
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-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
CID 155289396
2(1H)-Pyridinone, 4-(3,5-dimethylphenyl)methyl-5-ethyl-6-methyl-3-(1-piperidinyl)-
CID 486854
N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6622193
(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
(E)-3-(3,4-dimethylphenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525820
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 70696189
5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 162645531
5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 162659556
5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 162668904
N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide
CID 164608892

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 155289395) is 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1.
What is the InChIKey of 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is GNTPANYIJLPNBS-GRGXKFILSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-5,10,15-16,20,22H,6-9,11-14,17H2,1H3,(H,24,27)/t20-,22+.
What are the key properties of 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 365.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 155289395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).