benzyl 3-(2-oxopiperazin-1-yl)propanoate

C14H18N2O3 — CID 67570499

IUPACbenzyl 3-(2-oxopiperazin-1-yl)propanoate
SMILESO=C(CCN1CCNCC1=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13-10-15-7-9-16(13)8-6-14(18)19-11-12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKeyRGONRMPPXHIKRK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds5

About benzyl 3-(2-oxopiperazin-1-yl)propanoate

benzyl 3-(2-oxopiperazin-1-yl)propanoate (PubChem CID 67570499) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl 3-(2-oxopiperazin-1-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(2-oxopiperazin-1-yl)propanoate
PubChem CID67570499
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl 3-(2-oxopiperazin-1-yl)propanoate
SMILESO=C(CCN1CCNCC1=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13-10-15-7-9-16(13)8-6-14(18)19-11-12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKeyRGONRMPPXHIKRK-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156875495
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CID 14639376
benzyl 18-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 135350418
benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate
CID 135183084
benzyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
CID 23934388
benzyl 3-(5-formyl-2,3-dihydroindol-1-yl)propanoate
CID 87120677
azane;benzyl 3-phenylpropanoate
CID 175136325
4-O-amino 1-O-benzyl butanedioate
CID 54013080

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-oxopiperazin-1-yl)propanoate?
The IUPAC name of benzyl 3-(2-oxopiperazin-1-yl)propanoate (CID 67570499) is benzyl 3-(2-oxopiperazin-1-yl)propanoate.
What is the SMILES notation for benzyl 3-(2-oxopiperazin-1-yl)propanoate?
The canonical SMILES for benzyl 3-(2-oxopiperazin-1-yl)propanoate is O=C(CCN1CCNCC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2-oxopiperazin-1-yl)propanoate?
The InChIKey is RGONRMPPXHIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-10-15-7-9-16(13)8-6-14(18)19-11-12-4-2-1-3-5-12/h1-5,15H,6-11H2.
What are the key properties of benzyl 3-(2-oxopiperazin-1-yl)propanoate?
benzyl 3-(2-oxopiperazin-1-yl)propanoate has a molecular weight of 262.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-oxopiperazin-1-yl)propanoate is sourced from PubChem (CID 67570499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).