3-(2-methylphenyl)-4-propanoylpiperazin-2-one

C14H18N2O2 — CID 110657143

IUPAC3-(2-methylphenyl)-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-12(17)16-9-8-15-14(18)13(16)11-7-5-4-6-10(11)2/h4-7,13H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyVNNASXBDIHTYNB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds2

About 3-(2-methylphenyl)-4-propanoylpiperazin-2-one

3-(2-methylphenyl)-4-propanoylpiperazin-2-one (PubChem CID 110657143) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-propanoylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-propanoylpiperazin-2-one
PubChem CID110657143
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-methylphenyl)-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-12(17)16-9-8-15-14(18)13(16)11-7-5-4-6-10(11)2/h4-7,13H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyVNNASXBDIHTYNB-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 154849349
N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 166320676
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-propanoylpiperazin-2-one?
The IUPAC name of 3-(2-methylphenyl)-4-propanoylpiperazin-2-one (CID 110657143) is 3-(2-methylphenyl)-4-propanoylpiperazin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-4-propanoylpiperazin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-4-propanoylpiperazin-2-one is CCC(=O)N1CCNC(=O)C1c1ccccc1C.
What is the InChIKey of 3-(2-methylphenyl)-4-propanoylpiperazin-2-one?
The InChIKey is VNNASXBDIHTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-12(17)16-9-8-15-14(18)13(16)11-7-5-4-6-10(11)2/h4-7,13H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(2-methylphenyl)-4-propanoylpiperazin-2-one?
3-(2-methylphenyl)-4-propanoylpiperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-propanoylpiperazin-2-one is sourced from PubChem (CID 110657143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).