3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide

C16H22F2N2O — CID 56895608

IUPAC3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O/c1-19(2)16(21)20-10-4-5-12(11-20)8-9-13-14(17)6-3-7-15(13)18/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyGJVIHCUYVGOOET-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.29
Rot. Bonds3

About 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide

3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 56895608) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID56895608
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O/c1-19(2)16(21)20-10-4-5-12(11-20)8-9-13-14(17)6-3-7-15(13)18/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyGJVIHCUYVGOOET-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide (CID 56895608) is 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is GJVIHCUYVGOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-19(2)16(21)20-10-4-5-12(11-20)8-9-13-14(17)6-3-7-15(13)18/h3,6-7,12H,4-5,8-11H2,1-2H3.
What are the key properties of 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide?
3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 56895608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).