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

C17H28N2O — CID 113073170

IUPACcyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C17H28N2O/c20-17(16-7-4-8-16)19-13-11-18(12-14-19)10-9-15-5-2-1-3-6-15/h5,16H,1-4,6-14H2
InChIKeyVXGBIZPKHDQFNB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds4

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

cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 113073170) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID113073170
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namecyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C17H28N2O/c20-17(16-7-4-8-16)19-13-11-18(12-14-19)10-9-15-5-2-1-3-6-15/h5,16H,1-4,6-14H2
InChIKeyVXGBIZPKHDQFNB-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 111567069
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 113073163
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
4-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
CID 10944742
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone (CID 113073170) is cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is VXGBIZPKHDQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-17(16-7-4-8-16)19-13-11-18(12-14-19)10-9-15-5-2-1-3-6-15/h5,16H,1-4,6-14H2.
What are the key properties of cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 276.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113073170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).