2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

C17H17FN2O3 — CID 175751261

IUPAC2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1F
InChIInChI=1S/C17H17FN2O3/c18-15-13(16(19)21)6-2-8-20(15)17(22)12-5-1-4-11(10-12)14-7-3-9-23-14/h1,3-5,7,9-10,13,15H,2,6,8H2,(H2,19,21)
InChIKeyBFZAUTHWWUJQCD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.58
Rot. Bonds3

About 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 175751261) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
PubChem CID175751261
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1F
InChIInChI=1S/C17H17FN2O3/c18-15-13(16(19)21)6-2-8-20(15)17(22)12-5-1-4-11(10-12)14-7-3-9-23-14/h1,3-5,7,9-10,13,15H,2,6,8H2,(H2,19,21)
InChIKeyBFZAUTHWWUJQCD-UHFFFAOYSA-N
XLogP2.58
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
[(4aR,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[3-(furan-2-yl)phenyl]methanone
CID 140548885
[(4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[3-(furan-2-yl)phenyl]methanone
CID 140548971
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-(furan-2-yl)benzoate
CID 7023055
(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 118771500
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
1-[4-[[(2R,6S)-4-[3-(furan-2-yl)benzoyl]-2,6-dimethylpiperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 148726594
3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354946
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide
CID 126434887

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide (CID 175751261) is 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1F.
What is the InChIKey of 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is BFZAUTHWWUJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-15-13(16(19)21)6-2-8-20(15)17(22)12-5-1-4-11(10-12)14-7-3-9-23-14/h1,3-5,7,9-10,13,15H,2,6,8H2,(H2,19,21).
What are the key properties of 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 175751261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).