benzyl 2-(3-oxopiperazin-2-yl)acetate

C13H16N2O3 — CID 2983626

IUPACbenzyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)
InChIKeyCTQHHKCTNDZTQH-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.21
Rot. Bonds4

About benzyl 2-(3-oxopiperazin-2-yl)acetate

benzyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 2983626) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID2983626
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)
InChIKeyCTQHHKCTNDZTQH-UHFFFAOYSA-N
XLogP0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of benzyl 2-(3-oxopiperazin-2-yl)acetate (CID 2983626) is benzyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for benzyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for benzyl 2-(3-oxopiperazin-2-yl)acetate is O=C(CC1NCCNC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is CTQHHKCTNDZTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17).
What are the key properties of benzyl 2-(3-oxopiperazin-2-yl)acetate?
benzyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 248.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 2983626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).