3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one

C15H20N2O2 — CID 63601493

IUPAC3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C15H20N2O2/c1-3-13-15(19)16-8-9-17(13)14(18)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyHPFVJLKHRLNFGM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds3

About 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one

3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one (PubChem CID 63601493) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
PubChem CID63601493
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C15H20N2O2/c1-3-13-15(19)16-8-9-17(13)14(18)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyHPFVJLKHRLNFGM-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 43877398
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 63600820
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one (CID 63601493) is 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)Cc1ccccc1C.
What is the InChIKey of 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one?
The InChIKey is HPFVJLKHRLNFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13-15(19)16-8-9-17(13)14(18)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one?
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 63601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).