1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

C21H31N3O2 — CID 1083731

IUPAC1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)18-11-13-24(14-12-18)21(26)23-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPIPQYOGVKLKWMZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.37
Rot. Bonds4

About 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 1083731) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID1083731
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)18-11-13-24(14-12-18)21(26)23-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPIPQYOGVKLKWMZ-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
1-N-cyclopropyl-4-N-[(3-methyl-4-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166226120
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 1083731) is 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is PIPQYOGVKLKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)18-11-13-24(14-12-18)21(26)23-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.37, 4 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-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 1083731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).