1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide

C20H35N3O2 — CID 646041

IUPAC1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-15-7-9-18(10-8-15)21-19(24)16-11-13-23(14-12-16)20(25)22-17-5-3-2-4-6-17/h15-18H,2-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBMEDHPXAEKSUBM-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.44
Rot. Bonds3

About 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide (PubChem CID 646041) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide
PubChem CID646041
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-15-7-9-18(10-8-15)21-19(24)16-11-13-23(14-12-16)20(25)22-17-5-3-2-4-6-17/h15-18H,2-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBMEDHPXAEKSUBM-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.44
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-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide (CID 646041) is 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide is CC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide?
The InChIKey is BMEDHPXAEKSUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-15-7-9-18(10-8-15)21-19(24)16-11-13-23(14-12-16)20(25)22-17-5-3-2-4-6-17/h15-18H,2-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.44, 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-(4-methylcyclohexyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 646041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).