(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide

C16H16FN3O2 — CID 96501783

IUPAC(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)CN1
InChIInChI=1S/C16H16FN3O2/c17-13-5-4-12(9-14(13)20-7-1-2-8-20)19-16(22)11-3-6-15(21)18-10-11/h1-2,4-5,7-9,11H,3,6,10H2,(H,18,21)(H,19,22)/t11-/m1/s1
InChIKeyPYAZYGBTDDTYKW-LLVKDONJSA-N
MW301.32 g/mol
LogP2.08
Rot. Bonds3

About (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide

(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 96501783) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID96501783
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)CN1
InChIInChI=1S/C16H16FN3O2/c17-13-5-4-12(9-14(13)20-7-1-2-8-20)19-16(22)11-3-6-15(21)18-10-11/h1-2,4-5,7-9,11H,3,6,10H2,(H,18,21)(H,19,22)/t11-/m1/s1
InChIKeyPYAZYGBTDDTYKW-LLVKDONJSA-N
XLogP2.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 71941186
(3S)-N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 97016732
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide (CID 96501783) is (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)CN1.
What is the InChIKey of (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PYAZYGBTDDTYKW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-5-4-12(9-14(13)20-7-1-2-8-20)19-16(22)11-3-6-15(21)18-10-11/h1-2,4-5,7-9,11H,3,6,10H2,(H,18,21)(H,19,22)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 96501783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).