3-ethyl-4-(3-methylpentanoyl)piperazin-2-one

C12H22N2O2 — CID 114875520

IUPAC3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
SMILESCCC(C)CC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H22N2O2/c1-4-9(3)8-11(15)14-7-6-13-12(16)10(14)5-2/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyYNZJWHYHENNODP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one

3-ethyl-4-(3-methylpentanoyl)piperazin-2-one (PubChem CID 114875520) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
PubChem CID114875520
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
SMILESCCC(C)CC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H22N2O2/c1-4-9(3)8-11(15)14-7-6-13-12(16)10(14)5-2/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyYNZJWHYHENNODP-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962479
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one (CID 114875520) is 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one is CCC(C)CC(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one?
The InChIKey is YNZJWHYHENNODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-9(3)8-11(15)14-7-6-13-12(16)10(14)5-2/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one?
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methylpentanoyl)piperazin-2-one is sourced from PubChem (CID 114875520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).