N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide

C13H16F2N2O — CID 24710588

IUPACN-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C13H16F2N2O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyPBDTXTMTAWOVID-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.29
Rot. Bonds2

About N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide

N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide (PubChem CID 24710588) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
PubChem CID24710588
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C13H16F2N2O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyPBDTXTMTAWOVID-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

N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide (CID 24710588) is N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(=O)Nc2ccc(F)c(F)c2)CN1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is PBDTXTMTAWOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide?
N-(3,4-difluorophenyl)-6-methylpiperidine-3-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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 24710588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).