3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one

C11H20N4O2 — CID 63606730

IUPAC3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C11H20N4O2/c1-9-11(17)13-4-7-15(9)10(16)8-14-5-2-12-3-6-14/h9,12H,2-8H2,1H3,(H,13,17)
InChIKeyHKGVJEAOLIVLIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.76
Rot. Bonds2

About 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one

3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one (PubChem CID 63606730) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
PubChem CID63606730
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C11H20N4O2/c1-9-11(17)13-4-7-15(9)10(16)8-14-5-2-12-3-6-14/h9,12H,2-8H2,1H3,(H,13,17)
InChIKeyHKGVJEAOLIVLIK-UHFFFAOYSA-N
XLogP-1.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
CID 79328041
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55219396
3-methyl-4-(3-piperidin-4-yloxypropanoyl)piperazin-2-one
CID 55251248
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
3,3-dimethyl-5-[(2S)-2-methyl-3-oxopiperazin-1-yl]-5-oxopentanoic acid
CID 124555735
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
CID 63607417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one (CID 63606730) is 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)CN1CCNCC1.
What is the InChIKey of 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The InChIKey is HKGVJEAOLIVLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9-11(17)13-4-7-15(9)10(16)8-14-5-2-12-3-6-14/h9,12H,2-8H2,1H3,(H,13,17).
What are the key properties of 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one has a molecular weight of 240.31 g/mol, XLogP of -1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 63606730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).