N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide

C13H16F2N2O — CID 103586007

IUPACN-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCCN2)cc1F
InChIInChI=1S/C13H16F2N2O/c1-8-6-10(15)12(7-9(8)14)17-13(18)11-4-2-3-5-16-11/h6-7,11,16H,2-5H2,1H3,(H,17,18)
InChIKeyLAKRFHPELRJSOU-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.35
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide

N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide (PubChem CID 103586007) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
PubChem CID103586007
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCCN2)cc1F
InChIInChI=1S/C13H16F2N2O/c1-8-6-10(15)12(7-9(8)14)17-13(18)11-4-2-3-5-16-11/h6-7,11,16H,2-5H2,1H3,(H,17,18)
InChIKeyLAKRFHPELRJSOU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
4,5-difluoro-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913876
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide (CID 103586007) is N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide is Cc1cc(F)c(NC(=O)C2CCCCN2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide?
The InChIKey is LAKRFHPELRJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-6-10(15)12(7-9(8)14)17-13(18)11-4-2-3-5-16-11/h6-7,11,16H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide?
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103586007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).