4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one

C12H22N2O2 — CID 30377325

IUPAC4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(CCC(C)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-11(15)3-5-13-7-9-14(10-8-13)6-4-12(2)16/h3-10H2,1-2H3
InChIKeyVUJMSTMLBSULKN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.56
Rot. Bonds6

About 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one

4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one (PubChem CID 30377325) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one
PubChem CID30377325
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(CCC(C)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-11(15)3-5-13-7-9-14(10-8-13)6-4-12(2)16/h3-10H2,1-2H3
InChIKeyVUJMSTMLBSULKN-UHFFFAOYSA-N
XLogP0.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one?
The IUPAC name of 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one (CID 30377325) is 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one.
What is the SMILES notation for 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one?
The canonical SMILES for 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one is CC(=O)CCN1CCN(CCC(C)=O)CC1.
What is the InChIKey of 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one?
The InChIKey is VUJMSTMLBSULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(15)3-5-13-7-9-14(10-8-13)6-4-12(2)16/h3-10H2,1-2H3.
What are the key properties of 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one?
4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-oxobutyl)piperazin-1-yl]butan-2-one is sourced from PubChem (CID 30377325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).