(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide

C21H21F2N3O2 — CID 124736316

IUPAC(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
SMILESO=C1CCc2ccc(NC(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)cc2N1
InChIInChI=1S/C21H21F2N3O2/c22-15-5-7-18(23)17(10-15)14-2-1-9-26(12-14)21(28)24-16-6-3-13-4-8-20(27)25-19(13)11-16/h3,5-7,10-11,14H,1-2,4,8-9,12H2,(H,24,28)(H,25,27)/t14-/m1/s1
InChIKeyOXPIXZXHSWXTDP-CQSZACIVSA-N
MW385.41 g/mol
LogP4.26
Rot. Bonds2

About (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide

(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide (PubChem CID 124736316) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
PubChem CID124736316
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
SMILESO=C1CCc2ccc(NC(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)cc2N1
InChIInChI=1S/C21H21F2N3O2/c22-15-5-7-18(23)17(10-15)14-2-1-9-26(12-14)21(28)24-16-6-3-13-4-8-20(27)25-19(13)11-16/h3,5-7,10-11,14H,1-2,4,8-9,12H2,(H,24,28)(H,25,27)/t14-/m1/s1
InChIKeyOXPIXZXHSWXTDP-CQSZACIVSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97048352
3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045993
2-(2-chloro-4-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 122146835
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045992
3-(2,5-difluorophenyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-1-carboxamide
CID 119046289
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 99833065
2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91962370
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
4-[3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 126811571
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 72872019

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide (CID 124736316) is (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide is O=C1CCc2ccc(NC(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)cc2N1.
What is the InChIKey of (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide?
The InChIKey is OXPIXZXHSWXTDP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-15-5-7-18(23)17(10-15)14-2-1-9-26(12-14)21(28)24-16-6-3-13-4-8-20(27)25-19(13)11-16/h3,5-7,10-11,14H,1-2,4,8-9,12H2,(H,24,28)(H,25,27)/t14-/m1/s1.
What are the key properties of (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide?
(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124736316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).