1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide

C21H31N3O2 — CID 3216082

IUPAC1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H31N3O2/c1-15-8-9-19(16(2)14-15)23-20(25)17-10-12-24(13-11-17)21(26)22-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFWHDUBJUYIDCGT-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.00
Rot. Bonds3

About 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 3216082) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide
PubChem CID3216082
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H31N3O2/c1-15-8-9-19(16(2)14-15)23-20(25)17-10-12-24(13-11-17)21(26)22-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFWHDUBJUYIDCGT-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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide (CID 3216082) is 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is FWHDUBJUYIDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-8-9-19(16(2)14-15)23-20(25)17-10-12-24(13-11-17)21(26)22-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(2,4-dimethylphenyl)piperidine-1,4-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-4-N-(2,4-dimethylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3216082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).