2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide

C22H23ClF3N3O2 — CID 25233757

IUPAC2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23ClF3N3O2/c1-28(14-15-5-9-17(23)10-6-15)20(30)19-4-2-3-13-29(19)21(31)27-18-11-7-16(8-12-18)22(24,25)26/h5-12,19H,2-4,13-14H2,1H3,(H,27,31)
InChIKeyIRJXRYRNNJVUIZ-UHFFFAOYSA-N
MW453.89 g/mol
LogP5.40
Rot. Bonds4

About 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide (PubChem CID 25233757) has the molecular formula C22H23ClF3N3O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide
PubChem CID25233757
Molecular FormulaC22H23ClF3N3O2
Molecular Weight453.89 g/mol
Exact Mass453.14
IUPAC Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23ClF3N3O2/c1-28(14-15-5-9-17(23)10-6-15)20(30)19-4-2-3-13-29(19)21(31)27-18-11-7-16(8-12-18)22(24,25)26/h5-12,19H,2-4,13-14H2,1H3,(H,27,31)
InChIKeyIRJXRYRNNJVUIZ-UHFFFAOYSA-N
XLogP5.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide 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-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide (CID 25233757) is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide?
The InChIKey is IRJXRYRNNJVUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O2/c1-28(14-15-5-9-17(23)10-6-15)20(30)19-4-2-3-13-29(19)21(31)27-18-11-7-16(8-12-18)22(24,25)26/h5-12,19H,2-4,13-14H2,1H3,(H,27,31).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide has a molecular weight of 453.89 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,2-dicarboxamide is sourced from PubChem (CID 25233757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).