[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H24N2O2 — CID 113073111

IUPAC[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h4-5,7,14H,1-3,6,8-13H2
InChIKeyGYRPJWBYZDADTE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds4

About [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 113073111) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID113073111
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h4-5,7,14H,1-3,6,8-13H2
InChIKeyGYRPJWBYZDADTE-UHFFFAOYSA-N
XLogP2.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 118793944

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 113073111) is [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GYRPJWBYZDADTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(16-7-4-14-21-16)19-12-10-18(11-13-19)9-8-15-5-2-1-3-6-15/h4-5,7,14H,1-3,6,8-13H2.
What are the key properties of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 113073111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).