N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide

C13H16F2N2O — CID 115159731

IUPACN-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-17(9-5-6-10(14)11(15)8-9)13(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3
InChIKeyVINUTWAQKSHWRL-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.07
Rot. Bonds2

About N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide

N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 115159731) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID115159731
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-17(9-5-6-10(14)11(15)8-9)13(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3
InChIKeyVINUTWAQKSHWRL-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide (CID 115159731) is N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide is CN(C(=O)C1CCCCN1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VINUTWAQKSHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17(9-5-6-10(14)11(15)8-9)13(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide?
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 115159731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).