4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one

C13H16N2O2 — CID 62052117

IUPAC4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
SMILESCc1cccc(C(=O)CN2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)12(16)8-15-6-5-14-13(17)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,17)
InChIKeyGCUYMQGJLHKGDC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.61
Rot. Bonds3

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

4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 62052117) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
PubChem CID62052117
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
SMILESCc1cccc(C(=O)CN2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)12(16)8-15-6-5-14-13(17)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,17)
InChIKeyGCUYMQGJLHKGDC-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680436
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
4-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366431
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63003974
4-[2-(3-methylphenyl)acetyl]piperazin-2-one
CID 55126787
1-phenacyl-1,4-diazepan-5-one
CID 63004139
2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
4-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366624
1-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63004144
1-[2-(3-methylphenyl)prop-2-enyl]piperazine
CID 82509183

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one (CID 62052117) is 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one is Cc1cccc(C(=O)CN2CCNC(=O)C2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is GCUYMQGJLHKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)12(16)8-15-6-5-14-13(17)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one?
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 62052117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).