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

C12H22N4O2 — CID 63600882

IUPAC3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-2-10-12(18)14-5-8-16(10)11(17)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,18)
InChIKeyQQTBDVMDHAOEBL-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds3

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

3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one (PubChem CID 63600882) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
PubChem CID63600882
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-2-10-12(18)14-5-8-16(10)11(17)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,18)
InChIKeyQQTBDVMDHAOEBL-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63606730
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 63600833
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one (CID 63600882) is 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)CN1CCNCC1.
What is the InChIKey of 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
The InChIKey is QQTBDVMDHAOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-10-12(18)14-5-8-16(10)11(17)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,18).
What are the key properties of 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one?
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one has a molecular weight of 254.33 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 63600882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).