N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide

C13H17FN2O — CID 79050344

IUPACN-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C13H17FN2O/c1-9-5-11(14)7-12(6-9)16-13(17)10-3-2-4-15-8-10/h5-7,10,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyYWRPXWGIUUMIPL-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.07
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide

N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide (PubChem CID 79050344) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
PubChem CID79050344
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C13H17FN2O/c1-9-5-11(14)7-12(6-9)16-13(17)10-3-2-4-15-8-10/h5-7,10,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyYWRPXWGIUUMIPL-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide (CID 79050344) is N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide is Cc1cc(F)cc(NC(=O)C2CCCNC2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide?
The InChIKey is YWRPXWGIUUMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-5-11(14)7-12(6-9)16-13(17)10-3-2-4-15-8-10/h5-7,10,15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide?
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 79050344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).