N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C20H35N3O — CID 45222674

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O/c1-22-14-10-19(11-15-22)23-13-5-8-18(16-23)20(24)21-12-9-17-6-3-2-4-7-17/h6,18-19H,2-5,7-16H2,1H3,(H,21,24)
InChIKeyUAIKJJVJIHFDTH-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45222674) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45222674
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O/c1-22-14-10-19(11-15-22)23-13-5-8-18(16-23)20(24)21-12-9-17-6-3-2-4-7-17/h6,18-19H,2-5,7-16H2,1H3,(H,21,24)
InChIKeyUAIKJJVJIHFDTH-UHFFFAOYSA-N
XLogP2.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide 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 N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 45222674) is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UAIKJJVJIHFDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-22-14-10-19(11-15-22)23-13-5-8-18(16-23)20(24)21-12-9-17-6-3-2-4-7-17/h6,18-19H,2-5,7-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 333.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).