1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide

C21H31N3O2 — CID 650315

IUPAC1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C
InChIInChI=1S/C21H31N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNAXARLQNSJGRDX-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.00
Rot. Bonds3

About 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 650315) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide
PubChem CID650315
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C
InChIInChI=1S/C21H31N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNAXARLQNSJGRDX-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-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 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide (CID 650315) is 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C.
What is the InChIKey of 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is NAXARLQNSJGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-(2,3-dimethylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 650315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).