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

C18H30N2O — CID 3655508

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCCCC1
InChIInChI=1S/C18H30N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h1,3,16-17H,2,4-15H2
InChIKeyBOOWEMCSPIGOIA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.07
Rot. Bonds3

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

[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 3655508) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID3655508
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCCCC1
InChIInChI=1S/C18H30N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h1,3,16-17H,2,4-15H2
InChIKeyBOOWEMCSPIGOIA-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.07
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]-piperidin-1-ylmethanone 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]-piperidin-1-ylmethanone?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 3655508) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(CC2CC=CCC2)CC1)N1CCCCC1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is BOOWEMCSPIGOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h1,3,16-17H,2,4-15H2.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 290.45 g/mol, XLogP of 3.07, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 3655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).