2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone

C12H22N4O2 — CID 24708801

IUPAC2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H22N4O2/c1-11(17)15-8-6-14(7-9-15)10-12(18)16-4-2-13-3-5-16/h13H,2-10H2,1H3
InChIKeyOMNFYJQIQUYSPP-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.42
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone

2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone (PubChem CID 24708801) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
PubChem CID24708801
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H22N4O2/c1-11(17)15-8-6-14(7-9-15)10-12(18)16-4-2-13-3-5-16/h13H,2-10H2,1H3
InChIKeyOMNFYJQIQUYSPP-UHFFFAOYSA-N
XLogP-1.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone (CID 24708801) is 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone is CC(=O)N1CCN(CC(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is OMNFYJQIQUYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(17)15-8-6-14(7-9-15)10-12(18)16-4-2-13-3-5-16/h13H,2-10H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone?
2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 254.33 g/mol, XLogP of -1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 24708801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).