2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone

C11H20N2O — CID 103706244

IUPAC2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C11H20N2O/c1-12-5-7-13(8-6-12)11(14)9-10-3-2-4-10/h10H,2-9H2,1H3
InChIKeyBAYDUJOXSQNZRD-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds2

About 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone

2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103706244) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103706244
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C11H20N2O/c1-12-5-7-13(8-6-12)11(14)9-10-3-2-4-10/h10H,2-9H2,1H3
InChIKeyBAYDUJOXSQNZRD-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone (CID 103706244) is 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CCC2)CC1.
What is the InChIKey of 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BAYDUJOXSQNZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-5-7-13(8-6-12)11(14)9-10-3-2-4-10/h10H,2-9H2,1H3.
What are the key properties of 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone?
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103706244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).