3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C24H23ClN2O3 — CID 44756569

IUPAC3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23ClN2O3/c25-21-15-17(16-26-22(21)28)23(29)27-13-11-20(12-14-27)24(30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-16,20,30H,11-14H2,(H,26,28)
InChIKeyXFQGUVJKRQQXGA-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.82
Rot. Bonds4

About 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 44756569) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID44756569
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23ClN2O3/c25-21-15-17(16-26-22(21)28)23(29)27-13-11-20(12-14-27)24(30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-16,20,30H,11-14H2,(H,26,28)
InChIKeyXFQGUVJKRQQXGA-UHFFFAOYSA-N
XLogP3.82
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 77081700
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
3-chloro-5-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepane-4-carbonyl]-1H-pyridin-2-one
CID 121192500
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70763427
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
5-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-3-chloro-1H-pyridin-2-one
CID 70708168
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
(3S,4S)-4-benzyl-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135112979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 44756569) is 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XFQGUVJKRQQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-21-15-17(16-26-22(21)28)23(29)27-13-11-20(12-14-27)24(30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-16,20,30H,11-14H2,(H,26,28).
What are the key properties of 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 422.91 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 44756569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).