(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

C24H24N2O2 — CID 171347424

IUPAC(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(c3ccccc3)CC2)c1
InChIInChI=1S/C24H24N2O2/c1-18-7-8-21(19-9-13-25-14-10-19)22(17-18)23(27)26-15-11-24(28,12-16-26)20-5-3-2-4-6-20/h2-10,13-14,17,28H,11-12,15-16H2,1H3
InChIKeyQNSZTMGEXVXFGZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds3

About (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (PubChem CID 171347424) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
PubChem CID171347424
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(c3ccccc3)CC2)c1
InChIInChI=1S/C24H24N2O2/c1-18-7-8-21(19-9-13-25-14-10-19)22(17-18)23(27)26-15-11-24(28,12-16-26)20-5-3-2-4-6-20/h2-10,13-14,17,28H,11-12,15-16H2,1H3
InChIKeyQNSZTMGEXVXFGZ-UHFFFAOYSA-N
XLogP4.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
4-[8-[[4-Methyl-2-pyridin-4-yl-5-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 68093280
2-(Pyridin-4-yl)benzoic acid
CID 12130775
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-6-ylmethanone
CID 54581223
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 10410208
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-4-yl-acetonitrile; hydrate
CID 10455159
5-(Pyridin-4-yl)-1-naphthoic Acid
CID 22118910
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-3-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25018527
N-((1s,4R)-4-cyano-4-(pyridin-3-yl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019046
3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
CID 66829396
3-[2-(Aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoic acid
CID 67411145

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (CID 171347424) is (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(c3ccccc3)CC2)c1.
What is the InChIKey of (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The InChIKey is QNSZTMGEXVXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-7-8-21(19-9-13-25-14-10-19)22(17-18)23(27)26-15-11-24(28,12-16-26)20-5-3-2-4-6-20/h2-10,13-14,17,28H,11-12,15-16H2,1H3.
What are the key properties of (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
(4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 171347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).