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

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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).