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

C14H18N2O2 — CID 63601884

IUPAC3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-12-13(17)15-8-9-16(12)14(18)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyPTOFXWMOKKUYFF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.35
Rot. Bonds2

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

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one (PubChem CID 63601884) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
PubChem CID63601884
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-12-13(17)15-8-9-16(12)14(18)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyPTOFXWMOKKUYFF-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one
CID 176502280
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one (CID 63601884) is 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccccc1C.
What is the InChIKey of 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one?
The InChIKey is PTOFXWMOKKUYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-12-13(17)15-8-9-16(12)14(18)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one?
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 63601884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).