methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate

C14H18N2O3 — CID 118653244

IUPACmethyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(C)c2)CC1=O
InChIInChI=1S/C14H18N2O3/c1-11-4-3-5-12(8-11)15-6-7-16(13(17)9-15)10-14(18)19-2/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySXAOAKKWCWMQIO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate

methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate (PubChem CID 118653244) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate
PubChem CID118653244
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(C)c2)CC1=O
InChIInChI=1S/C14H18N2O3/c1-11-4-3-5-12(8-11)15-6-7-16(13(17)9-15)10-14(18)19-2/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySXAOAKKWCWMQIO-UHFFFAOYSA-N
XLogP0.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(3-methylphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39337051
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
ethyl 3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]benzoate
CID 174360988
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate (CID 118653244) is methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate is COC(=O)CN1CCN(c2cccc(C)c2)CC1=O.
What is the InChIKey of methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate?
The InChIKey is SXAOAKKWCWMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11-4-3-5-12(8-11)15-6-7-16(13(17)9-15)10-14(18)19-2/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate?
methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate has a molecular weight of 262.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 118653244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).