(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one

C25H22ClFN2O2 — CID 152910649

IUPAC(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one
SMILESO=C(Cc1ccc(Cl)cc1)C[C@@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C25H22ClFN2O2/c26-20-10-7-17(8-11-20)14-21(30)15-18-4-3-13-29(25(18)31)24-12-9-19(16-28-24)22-5-1-2-6-23(22)27/h1-2,5-12,16,18H,3-4,13-15H2/t18-/m0/s1
InChIKeyUHDHYZLWNBEAHY-SFHVURJKSA-N
MW436.91 g/mol
LogP5.49
Rot. Bonds6

About (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one

(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one (PubChem CID 152910649) has the molecular formula C25H22ClFN2O2 and a molecular weight of 436.91 g/mol. Its IUPAC name is (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one
PubChem CID152910649
Molecular FormulaC25H22ClFN2O2
Molecular Weight436.91 g/mol
Exact Mass436.14
IUPAC Name(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one
SMILESO=C(Cc1ccc(Cl)cc1)C[C@@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C25H22ClFN2O2/c26-20-10-7-17(8-11-20)14-21(30)15-18-4-3-13-29(25(18)31)24-12-9-19(16-28-24)22-5-1-2-6-23(22)27/h1-2,5-12,16,18H,3-4,13-15H2/t18-/m0/s1
InChIKeyUHDHYZLWNBEAHY-SFHVURJKSA-N
XLogP5.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.91
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride
CID 135374583
tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
CID 175007211
(3S)-3-[3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxopropyl]-1-[4-(2-diethylphosphorylphenyl)-2,6-difluorophenyl]piperidin-2-one
CID 167590938
(3S)-3-[3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxopropyl]-1-[4-(2-diethylphosphorylphenyl)-2,3-difluorophenyl]piperidin-2-one
CID 167622903
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621
N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
CID 159575047
1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 58585901
(3S)-3-[3-(4-chloro-2-fluorophenyl)-2-oxopropyl]-1-[4-(4-hydroxyoxolan-3-yl)phenyl]piperidin-2-one
CID 159865971
(3S)-1-[4-(4-hydroxyoxolan-3-yl)phenyl]-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]propyl]piperidin-2-one
CID 157494053
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one?
The IUPAC name of (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one (CID 152910649) is (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one?
The canonical SMILES for (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one is O=C(Cc1ccc(Cl)cc1)C[C@@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O.
What is the InChIKey of (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one?
The InChIKey is UHDHYZLWNBEAHY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22ClFN2O2/c26-20-10-7-17(8-11-20)14-21(30)15-18-4-3-13-29(25(18)31)24-12-9-19(16-28-24)22-5-1-2-6-23(22)27/h1-2,5-12,16,18H,3-4,13-15H2/t18-/m0/s1.
What are the key properties of (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one?
(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one has a molecular weight of 436.91 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 152910649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).