(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide

C15H20FN3O2 — CID 146133455

IUPAC(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide
SMILESCC(C)Nc1cccc(F)c1NC(=O)[C@H]1CCCC(=O)N1
InChIInChI=1S/C15H20FN3O2/c1-9(2)17-11-6-3-5-10(16)14(11)19-15(21)12-7-4-8-13(20)18-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyLHRHZKUBXSZTPX-GFCCVEGCSA-N
MW293.34 g/mol
LogP2.25
Rot. Bonds4

About (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146133455) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide
PubChem CID146133455
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide
SMILESCC(C)Nc1cccc(F)c1NC(=O)[C@H]1CCCC(=O)N1
InChIInChI=1S/C15H20FN3O2/c1-9(2)17-11-6-3-5-10(16)14(11)19-15(21)12-7-4-8-13(20)18-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyLHRHZKUBXSZTPX-GFCCVEGCSA-N
XLogP2.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
CID 146122047
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024
(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
CID 125135861
(2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
CID 125135862
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide (CID 146133455) is (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide is CC(C)Nc1cccc(F)c1NC(=O)[C@H]1CCCC(=O)N1.
What is the InChIKey of (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is LHRHZKUBXSZTPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9(2)17-11-6-3-5-10(16)14(11)19-15(21)12-7-4-8-13(20)18-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146133455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).