[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

C18H26N2O2 — CID 3133172

IUPAC[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2
InChIKeyZEJJWLIDYWAGNJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.37
Rot. Bonds2

About [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (PubChem CID 3133172) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
PubChem CID3133172
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2
InChIKeyZEJJWLIDYWAGNJ-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The IUPAC name of [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (CID 3133172) is [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is O=C(C1CC=CCC1)N1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The InChIKey is ZEJJWLIDYWAGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2.
What are the key properties of [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 3133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).