N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide

C13H16F2N2O — CID 54967962

IUPACN-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H16F2N2O/c14-11-2-1-9(7-12(11)15)8-17-13(18)10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyYGKYMGMGNZQHLF-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.58
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide

N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 54967962) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID54967962
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H16F2N2O/c14-11-2-1-9(7-12(11)15)8-17-13(18)10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyYGKYMGMGNZQHLF-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]piperidine-4-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-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945093
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide (CID 54967962) is N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YGKYMGMGNZQHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-2-1-9(7-12(11)15)8-17-13(18)10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 54967962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).