N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide

C13H16F2N2O — CID 110865260

IUPACN-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-17-8-3-2-7-11(17)13(18)16-12-9(14)5-4-6-10(12)15/h4-6,11H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyTULGLQKYMSZFMF-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.39
Rot. Bonds2

About N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide

N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide (PubChem CID 110865260) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
PubChem CID110865260
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-17-8-3-2-7-11(17)13(18)16-12-9(14)5-4-6-10(12)15/h4-6,11H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyTULGLQKYMSZFMF-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
(2R)-N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 91667722
N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 3030441
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 46495519
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide (CID 110865260) is N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide is CN1CCCCC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide?
The InChIKey is TULGLQKYMSZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-8-3-2-7-11(17)13(18)16-12-9(14)5-4-6-10(12)15/h4-6,11H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide?
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 110865260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).