methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate

C18H24N2O4 — CID 125144565

IUPACmethyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-15-17(22)19-8-9-20(15)16(21)11-13-4-6-14(7-5-13)18(23)24-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyOQCPUDIVOUAFCC-HNNXBMFYSA-N
MW332.40 g/mol
LogP1.39
Rot. Bonds5

About methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate

methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate (PubChem CID 125144565) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
PubChem CID125144565
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-15-17(22)19-8-9-20(15)16(21)11-13-4-6-14(7-5-13)18(23)24-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyOQCPUDIVOUAFCC-HNNXBMFYSA-N
XLogP1.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
4-[[[2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]methyl]benzoic acid
CID 122020079
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
CID 126816919
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
methyl 4-[[[2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetyl]amino]methyl]benzoate
CID 45205001
methyl 4-(azetidin-3-yloxymethyl)benzoate
CID 53410622
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740
methyl 4-[[2-[2-[2-(2-methylpropoxy)-2-oxoethyl]-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 54822665

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate?
The IUPAC name of methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate (CID 125144565) is methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate is COC(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(C)C)cc1.
What is the InChIKey of methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate?
The InChIKey is OQCPUDIVOUAFCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)10-15-17(22)19-8-9-20(15)16(21)11-13-4-6-14(7-5-13)18(23)24-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate?
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate has a molecular weight of 332.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate is sourced from PubChem (CID 125144565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).