1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone

C13H24N2O — CID 135177468

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone
SMILESCCC(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-3-11(2)14-6-8-15(9-7-14)13(16)10-12-4-5-12/h11-12H,3-10H2,1-2H3
InChIKeyMXOMPARZPSXIHI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone (PubChem CID 135177468) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone
PubChem CID135177468
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone
SMILESCCC(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-3-11(2)14-6-8-15(9-7-14)13(16)10-12-4-5-12/h11-12H,3-10H2,1-2H3
InChIKeyMXOMPARZPSXIHI-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone (CID 135177468) is 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone is CCC(C)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone?
The InChIKey is MXOMPARZPSXIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-11(2)14-6-8-15(9-7-14)13(16)10-12-4-5-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone is sourced from PubChem (CID 135177468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).