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

C13H16F2N2O — CID 115159889

IUPACN-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-17(10-4-5-11(14)12(15)7-10)13(18)9-3-2-6-16-8-9/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeySWHXHKNZQQIIPS-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.93
Rot. Bonds2

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

N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 115159889) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID115159889
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-17(10-4-5-11(14)12(15)7-10)13(18)9-3-2-6-16-8-9/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeySWHXHKNZQQIIPS-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
CID 115159892
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 124592944
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 91609234

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide (CID 115159889) is N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCNC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is SWHXHKNZQQIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17(10-4-5-11(14)12(15)7-10)13(18)9-3-2-6-16-8-9/h4-5,7,9,16H,2-3,6,8H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide?
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.93, 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-3-carboxamide is sourced from PubChem (CID 115159889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).