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

C13H16F2N2O — CID 106738606

IUPACN-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18)
InChIKeyZFPMJNFJUUJKND-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.29
Rot. Bonds2

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

N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106738606) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106738606
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18)
InChIKeyZFPMJNFJUUJKND-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
CID 24710588
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide (CID 106738606) is N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2ccc(F)c(F)c2)CCN1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is ZFPMJNFJUUJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).