cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone

C16H26N2O — CID 42890620

IUPACcyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N2O/c19-16(14-6-2-1-3-7-14)18-12-10-17(11-13-18)15-8-4-5-9-15/h1-2,14-15H,3-13H2
InChIKeyMGIQEKFQQOBEIM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds2

About cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone

cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 42890620) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID42890620
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Namecyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N2O/c19-16(14-6-2-1-3-7-14)18-12-10-17(11-13-18)15-8-4-5-9-15/h1-2,14-15H,3-13H2
InChIKeyMGIQEKFQQOBEIM-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
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 cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone (CID 42890620) is cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone is O=C(C1CC=CCC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is MGIQEKFQQOBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(14-6-2-1-3-7-14)18-12-10-17(11-13-18)15-8-4-5-9-15/h1-2,14-15H,3-13H2.
What are the key properties of cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 42890620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).