2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide

C16H20F2N2O — CID 119443668

IUPAC2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C16H20F2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeyDMZNPUAMNQMFNN-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.28
Rot. Bonds3

About 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide (PubChem CID 119443668) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
PubChem CID119443668
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C16H20F2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeyDMZNPUAMNQMFNN-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-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 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide (CID 119443668) is 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The InChIKey is DMZNPUAMNQMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119443668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).