4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

C24H25FN2O2 — CID 95558519

IUPAC4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@H](CCc4ccc(F)cc4)C3)c2c1
InChIInChI=1S/C24H25FN2O2/c1-16-4-11-22-20(13-16)21(14-23(28)26-22)24(29)27-12-2-3-18(15-27)6-5-17-7-9-19(25)10-8-17/h4,7-11,13-14,18H,2-3,5-6,12,15H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyVWLGJGCEPAOTKC-SFHVURJKSA-N
MW392.47 g/mol
LogP4.46
Rot. Bonds4

About 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (PubChem CID 95558519) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
PubChem CID95558519
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@H](CCc4ccc(F)cc4)C3)c2c1
InChIInChI=1S/C24H25FN2O2/c1-16-4-11-22-20(13-16)21(14-23(28)26-22)24(29)27-12-2-3-18(15-27)6-5-17-7-9-19(25)10-8-17/h4,7-11,13-14,18H,2-3,5-6,12,15H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyVWLGJGCEPAOTKC-SFHVURJKSA-N
XLogP4.46
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 95552362
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 56872412
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56919385
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 95545441
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 95554892
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (CID 95558519) is 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@H](CCc4ccc(F)cc4)C3)c2c1.
What is the InChIKey of 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is VWLGJGCEPAOTKC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-4-11-22-20(13-16)21(14-23(28)26-22)24(29)27-12-2-3-18(15-27)6-5-17-7-9-19(25)10-8-17/h4,7-11,13-14,18H,2-3,5-6,12,15H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 392.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 95558519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).