3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one

C25H24ClF3N2O — CID 162425978

IUPAC3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C25H24ClF3N2O/c26-23-22(30-13-10-21(11-14-30)20-4-2-1-3-5-20)12-15-31(24(23)32)17-19-8-6-18(7-9-19)16-25(27,28)29/h1-9,12,15,21H,10-11,13-14,16-17H2
InChIKeyUHGMNSBMAVRMGS-UHFFFAOYSA-N
MW460.93 g/mol
LogP6.04
Rot. Bonds5

About 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one

3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one (PubChem CID 162425978) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one
PubChem CID162425978
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C25H24ClF3N2O/c26-23-22(30-13-10-21(11-14-30)20-4-2-1-3-5-20)12-15-31(24(23)32)17-19-8-6-18(7-9-19)16-25(27,28)29/h1-9,12,15,21H,10-11,13-14,16-17H2
InChIKeyUHGMNSBMAVRMGS-UHFFFAOYSA-N
XLogP6.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one with MolForge

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Related Compounds

3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 118263353
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 118263406
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
4-(4-phenylpiperidine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 143724939
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
8-chloro-3-(cyclopropylmethyl)-7-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459641
1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
CID 164963597
N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
CID 130239084
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one (CID 162425978) is 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one is O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1Cc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is UHGMNSBMAVRMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c26-23-22(30-13-10-21(11-14-30)20-4-2-1-3-5-20)12-15-31(24(23)32)17-19-8-6-18(7-9-19)16-25(27,28)29/h1-9,12,15,21H,10-11,13-14,16-17H2.
What are the key properties of 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one?
3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 460.93 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 162425978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).