N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide

C13H16F2N2O — CID 110865367

IUPACN-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNFXDAXSOEKSJRV-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.25
Rot. Bonds2

About N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide

N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 110865367) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID110865367
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNFXDAXSOEKSJRV-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide (CID 110865367) is N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is NFXDAXSOEKSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.25, 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)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110865367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).