1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide

C17H31N3O2 — CID 49477403

IUPAC1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)NC2CCCC(C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-9-18-16(21)14-7-5-10-20(12-14)17(22)19-15-8-4-6-13(2)11-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQUNLLUUERPKXJD-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.51
Rot. Bonds4

About 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide

1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 49477403) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide
PubChem CID49477403
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)NC2CCCC(C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-9-18-16(21)14-7-5-10-20(12-14)17(22)19-15-8-4-6-13(2)11-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQUNLLUUERPKXJD-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-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

Related Compounds

1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
3-hydroxy-N-(3-methylcyclohexyl)piperidine-1-carboxamide
CID 110896538
(3R)-3-N-[(1R,3R)-3-methylcyclohexyl]piperidine-1,3-dicarboxamide
CID 32567673
1-(2-hydroxycyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide
CID 110014381
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
3-N-(3-methylcyclopentyl)piperidine-1,3-dicarboxamide
CID 114550176
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide (CID 49477403) is 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide is CCCNC(=O)C1CCCN(C(=O)NC2CCCC(C)C2)C1.
What is the InChIKey of 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is QUNLLUUERPKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-9-18-16(21)14-7-5-10-20(12-14)17(22)19-15-8-4-6-13(2)11-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide?
1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylcyclohexyl)-3-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 49477403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).