cyclohex-3-en-1-yl(piperazin-1-yl)methanone

C11H18N2O — CID 21183946

IUPACcyclohex-3-en-1-yl(piperazin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCNCC1
InChIInChI=1S/C11H18N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-2,10,12H,3-9H2
InChIKeyWKLPKXATXOPSKH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds1

About cyclohex-3-en-1-yl(piperazin-1-yl)methanone

cyclohex-3-en-1-yl(piperazin-1-yl)methanone (PubChem CID 21183946) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(piperazin-1-yl)methanone
PubChem CID21183946
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclohex-3-en-1-yl(piperazin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCNCC1
InChIInChI=1S/C11H18N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-2,10,12H,3-9H2
InChIKeyWKLPKXATXOPSKH-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
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(piperazin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl(piperazin-1-yl)methanone (CID 21183946) is cyclohex-3-en-1-yl(piperazin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl(piperazin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl(piperazin-1-yl)methanone is O=C(C1CC=CCC1)N1CCNCC1.
What is the InChIKey of cyclohex-3-en-1-yl(piperazin-1-yl)methanone?
The InChIKey is WKLPKXATXOPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-2,10,12H,3-9H2.
What are the key properties of cyclohex-3-en-1-yl(piperazin-1-yl)methanone?
cyclohex-3-en-1-yl(piperazin-1-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 21183946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).