oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate

C11H18N2O4 — CID 2996967

IUPACoxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OCC1CCCO1
InChIInChI=1S/C11H18N2O4/c14-10(17-7-8-2-1-5-16-8)6-9-11(15)13-4-3-12-9/h8-9,12H,1-7H2,(H,13,15)
InChIKeyAFRAXTHYXDRJLK-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.81
Rot. Bonds4

About oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate

oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 2996967) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID2996967
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameoxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OCC1CCCO1
InChIInChI=1S/C11H18N2O4/c14-10(17-7-8-2-1-5-16-8)6-9-11(15)13-4-3-12-9/h8-9,12H,1-7H2,(H,13,15)
InChIKeyAFRAXTHYXDRJLK-UHFFFAOYSA-N
XLogP-0.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate
CID 4935531
Cyclohexyl 2-(3-oxopiperazin-2-yl)acetate
CID 2996909
Isopropyl 2-(3-oxo-2-piperazinyl)acetate
CID 3455977
2-Methoxyethyl 2-(3-oxo-2-piperazinyl)acetate
CID 4779116
2-methoxyethyl [(S)-3-oxo-2-piperazinyl]acetate
CID 9319831
Sec-butyl 2-(3-oxo-2-piperazinyl)acetate
CID 16641255
Oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
[(2R)-oxolan-2-yl]methyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 1653185
propan-2-yl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952268
propan-2-yl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 952269
cyclohexyl 2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetate
CID 1653090
cyclohexyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 1653091

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate (CID 2996967) is oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate is O=C(CC1NCCNC1=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is AFRAXTHYXDRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10(17-7-8-2-1-5-16-8)6-9-11(15)13-4-3-12-9/h8-9,12H,1-7H2,(H,13,15).
What are the key properties of oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate?
oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 242.27 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 2996967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).