4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C21H38N4O2 — CID 45203935

IUPAC4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C21H38N4O2/c1-23(2)21(27)25-13-10-18(11-14-25)20(26)22-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h17-19H,3-16H2,1-2H3,(H,22,26)
InChIKeyNTASZSHQWBVGBL-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.54
Rot. Bonds4

About 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 45203935) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID45203935
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C21H38N4O2/c1-23(2)21(27)25-13-10-18(11-14-25)20(26)22-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h17-19H,3-16H2,1-2H3,(H,22,26)
InChIKeyNTASZSHQWBVGBL-UHFFFAOYSA-N
XLogP2.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-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 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 45203935) is 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)CC1.
What is the InChIKey of 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is NTASZSHQWBVGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-23(2)21(27)25-13-10-18(11-14-25)20(26)22-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h17-19H,3-16H2,1-2H3,(H,22,26).
What are the key properties of 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 378.56 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 45203935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).