(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one

C19H16F2N4O — CID 100685821

IUPAC(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one
SMILESO=C1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)[C@H](c2ccccc2)N1
InChIInChI=1S/C19H16F2N4O/c20-12-8-15-16(9-13(12)21)24-17(10-22-15)23-14-6-7-18(26)25-19(14)11-4-2-1-3-5-11/h1-5,8-10,14,19H,6-7H2,(H,23,24)(H,25,26)/t14-,19+/m1/s1
InChIKeyJFLNMPKYFNSXPN-KUHUBIRLSA-N
MW354.36 g/mol
LogP3.34
Rot. Bonds3

About (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one

(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one (PubChem CID 100685821) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one
PubChem CID100685821
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one
SMILESO=C1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)[C@H](c2ccccc2)N1
InChIInChI=1S/C19H16F2N4O/c20-12-8-15-16(9-13(12)21)24-17(10-22-15)23-14-6-7-18(26)25-19(14)11-4-2-1-3-5-11/h1-5,8-10,14,19H,6-7H2,(H,23,24)(H,25,26)/t14-,19+/m1/s1
InChIKeyJFLNMPKYFNSXPN-KUHUBIRLSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-[(2,5-difluoro-4-pyridinyl)methylamino]-6-phenylpiperidin-2-one;2,2,2-trifluoroacetic acid
CID 146133740
4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide
CID 95771187
6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 67578682
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 146147900
(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one
CID 146133739
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 146130814
2-(dimethylamino)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-4-carboxamide
CID 146130820
6,7-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]quinoxalin-2-amine
CID 129006918
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
(5R,6S)-5-[(2-chloro-3-pyridinyl)methylamino]-6-phenylpiperidin-2-one;2,2,2-trifluoroacetic acid
CID 146133721
2-(2,2-difluoroethyl)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130848

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one (CID 100685821) is (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one is O=C1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)[C@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one?
The InChIKey is JFLNMPKYFNSXPN-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-12-8-15-16(9-13(12)21)24-17(10-22-15)23-14-6-7-18(26)25-19(14)11-4-2-1-3-5-11/h1-5,8-10,14,19H,6-7H2,(H,23,24)(H,25,26)/t14-,19+/m1/s1.
What are the key properties of (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one?
(5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one has a molecular weight of 354.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(6,7-difluoroquinoxalin-2-yl)amino]-6-phenylpiperidin-2-one is sourced from PubChem (CID 100685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).