1,4-diacetylpiperazin-2-one

C8H12N2O3 — CID 45099917

IUPAC1,4-diacetylpiperazin-2-one
SMILESCC(=O)N1CCN(C(C)=O)C(=O)C1
InChIInChI=1S/C8H12N2O3/c1-6(11)9-3-4-10(7(2)12)8(13)5-9/h3-5H2,1-2H3
InChIKeyXEANCMPPVKCPFV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.78
Rot. Bonds

About 1,4-diacetylpiperazin-2-one

1,4-diacetylpiperazin-2-one (PubChem CID 45099917) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1,4-diacetylpiperazin-2-one.

Molecular Properties

Compound Name1,4-diacetylpiperazin-2-one
PubChem CID45099917
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1,4-diacetylpiperazin-2-one
SMILESCC(=O)N1CCN(C(C)=O)C(=O)C1
InChIInChI=1S/C8H12N2O3/c1-6(11)9-3-4-10(7(2)12)8(13)5-9/h3-5H2,1-2H3
InChIKeyXEANCMPPVKCPFV-UHFFFAOYSA-N
XLogP-0.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diacetylpiperazin-2-one?
The IUPAC name of 1,4-diacetylpiperazin-2-one (CID 45099917) is 1,4-diacetylpiperazin-2-one.
What is the SMILES notation for 1,4-diacetylpiperazin-2-one?
The canonical SMILES for 1,4-diacetylpiperazin-2-one is CC(=O)N1CCN(C(C)=O)C(=O)C1.
What is the InChIKey of 1,4-diacetylpiperazin-2-one?
The InChIKey is XEANCMPPVKCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)9-3-4-10(7(2)12)8(13)5-9/h3-5H2,1-2H3.
What are the key properties of 1,4-diacetylpiperazin-2-one?
1,4-diacetylpiperazin-2-one has a molecular weight of 184.19 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diacetylpiperazin-2-one is sourced from PubChem (CID 45099917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).