1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one

C12H22N4O2 — CID 64693847

IUPAC1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
SMILESCN1CCN(CCC(=O)N2CCNCC2)CC1=O
InChIInChI=1S/C12H22N4O2/c1-14-8-9-15(10-12(14)18)5-2-11(17)16-6-3-13-4-7-16/h13H,2-10H2,1H3
InChIKeyVEHNRRAIAHKKGJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.42
Rot. Bonds3

About 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one

1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one (PubChem CID 64693847) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
PubChem CID64693847
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
SMILESCN1CCN(CCC(=O)N2CCNCC2)CC1=O
InChIInChI=1S/C12H22N4O2/c1-14-8-9-15(10-12(14)18)5-2-11(17)16-6-3-13-4-7-16/h13H,2-10H2,1H3
InChIKeyVEHNRRAIAHKKGJ-UHFFFAOYSA-N
XLogP-1.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one (CID 64693847) is 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one is CN1CCN(CCC(=O)N2CCNCC2)CC1=O.
What is the InChIKey of 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one?
The InChIKey is VEHNRRAIAHKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14-8-9-15(10-12(14)18)5-2-11(17)16-6-3-13-4-7-16/h13H,2-10H2,1H3.
What are the key properties of 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one?
1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one has a molecular weight of 254.33 g/mol, XLogP of -1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one is sourced from PubChem (CID 64693847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).