N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide

C13H16FN3O2 — CID 43706556

IUPACN-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCNC2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-11-4-3-9(6-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19)
InChIKeyMBRYDJZDSRBWPZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.86
Rot. Bonds3

About N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide

N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43706556) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
PubChem CID43706556
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCNC2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-11-4-3-9(6-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19)
InChIKeyMBRYDJZDSRBWPZ-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide (CID 43706556) is N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide is NC(=O)c1cc(NC(=O)C2CCCNC2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is MBRYDJZDSRBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-4-3-9(6-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43706556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).