N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride

C13H18ClFN2O — CID 119281807

IUPACN-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-11(14)3-2-4-12(9)16-13(17)10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H
InChIKeyIUJDLSZRCOSBGJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.49
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride

N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119281807) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119281807
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-11(14)3-2-4-12(9)16-13(17)10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H
InChIKeyIUJDLSZRCOSBGJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
CID 119301618
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119281807) is N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride is Cc1c(F)cccc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IUJDLSZRCOSBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-11(14)3-2-4-12(9)16-13(17)10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride?
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119281807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).