N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

C22H26F2N2O2 — CID 134803049

IUPACN-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)F)C2)c1
InChIInChI=1S/C22H26F2N2O2/c1-28-20-10-3-2-9-19(20)17-7-4-6-16(12-17)14-26-11-5-8-18(15-26)22(27)25-13-21(23)24/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3,(H,25,27)
InChIKeyPUQNEFGXNBGNSE-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.96
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 134803049) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID134803049
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)F)C2)c1
InChIInChI=1S/C22H26F2N2O2/c1-28-20-10-3-2-9-19(20)17-7-4-6-16(12-17)14-26-11-5-8-18(15-26)22(27)25-13-21(23)24/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3,(H,25,27)
InChIKeyPUQNEFGXNBGNSE-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-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 N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 134803049) is N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCCC(C(=O)NCC(F)F)C2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PUQNEFGXNBGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-28-20-10-3-2-9-19(20)17-7-4-6-16(12-17)14-26-11-5-8-18(15-26)22(27)25-13-21(23)24/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3,(H,25,27).
What are the key properties of N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134803049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).