[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C19H32N2O — CID 655246

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC3CC=CCC3)CC2)C1
InChIInChI=1S/C19H32N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h2-3,16-18H,4-15H2,1H3
InChIKeyOLJQKWVTWYSZGV-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.31
Rot. Bonds3

About [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 655246) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID655246
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC3CC=CCC3)CC2)C1
InChIInChI=1S/C19H32N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h2-3,16-18H,4-15H2,1H3
InChIKeyOLJQKWVTWYSZGV-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone 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 [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 655246) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCN(CC3CC=CCC3)CC2)C1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OLJQKWVTWYSZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h2-3,16-18H,4-15H2,1H3.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 304.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 655246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).