cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C16H24N4O — CID 71788600

IUPACcyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H24N4O/c21-16(15-4-2-1-3-5-15)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h1-2,6-7,14-15H,3-5,8-13H2
InChIKeyNEXFOQAEIYQXJQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.38
Rot. Bonds4

About cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 71788600) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID71788600
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H24N4O/c21-16(15-4-2-1-3-5-15)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h1-2,6-7,14-15H,3-5,8-13H2
InChIKeyNEXFOQAEIYQXJQ-UHFFFAOYSA-N
XLogP1.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 71788600) is cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is O=C(C1CC=CCC1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is NEXFOQAEIYQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(15-4-2-1-3-5-15)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h1-2,6-7,14-15H,3-5,8-13H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71788600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).