(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide

C16H21FN2O2 — CID 164634113

IUPAC(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2C[C@H](C)C(=O)[C@@H](C)C2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-4-12-5-6-13(7-14(12)17)18-16(21)19-8-10(2)15(20)11(3)9-19/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyQJCGVKRCVTYZRM-QWRGUYRKSA-N
MW292.35 g/mol
LogP3.08
Rot. Bonds2

About (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide

(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide (PubChem CID 164634113) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
PubChem CID164634113
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2C[C@H](C)C(=O)[C@@H](C)C2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-4-12-5-6-13(7-14(12)17)18-16(21)19-8-10(2)15(20)11(3)9-19/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyQJCGVKRCVTYZRM-QWRGUYRKSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
(3S,4S)-1-[(3-chloro-4-ethylphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122093338
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 71970733
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide (CID 164634113) is (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide is CCc1ccc(NC(=O)N2C[C@H](C)C(=O)[C@@H](C)C2)cc1F.
What is the InChIKey of (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The InChIKey is QJCGVKRCVTYZRM-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-12-5-6-13(7-14(12)17)18-16(21)19-8-10(2)15(20)11(3)9-19/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 164634113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).