3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one

C22H27FN2O2 — CID 95552362

IUPAC3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)n(C)c1C
InChIInChI=1S/C22H27FN2O2/c1-15-13-20(21(26)24(3)16(15)2)22(27)25-12-4-5-18(14-25)7-6-17-8-10-19(23)11-9-17/h8-11,13,18H,4-7,12,14H2,1-3H3/t18-/m1/s1
InChIKeyWTRSXDLZBJGOAU-GOSISDBHSA-N
MW370.47 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one

3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one (PubChem CID 95552362) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
PubChem CID95552362
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)n(C)c1C
InChIInChI=1S/C22H27FN2O2/c1-15-13-20(21(26)24(3)16(15)2)22(27)25-12-4-5-18(14-25)7-6-17-8-10-19(23)11-9-17/h8-11,13,18H,4-7,12,14H2,1-3H3/t18-/m1/s1
InChIKeyWTRSXDLZBJGOAU-GOSISDBHSA-N
XLogP3.63
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 56872412
3-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 95551687
[(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
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 95558519
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
4-[[1-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70733490
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The IUPAC name of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one (CID 95552362) is 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one is Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)n(C)c1C.
What is the InChIKey of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The InChIKey is WTRSXDLZBJGOAU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15-13-20(21(26)24(3)16(15)2)22(27)25-12-4-5-18(14-25)7-6-17-8-10-19(23)11-9-17/h8-11,13,18H,4-7,12,14H2,1-3H3/t18-/m1/s1.
What are the key properties of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one is sourced from PubChem (CID 95552362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).