benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate

C16H22N2O4 — CID 110282921

IUPACbenzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
SMILESCOCCN1CCNC(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O4/c1-21-10-9-18-8-7-17-14(16(18)20)11-15(19)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyCQHGNFWGIWJRTF-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.57
Rot. Bonds7

About benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate

benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 110282921) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
PubChem CID110282921
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebenzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
SMILESCOCCN1CCNC(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O4/c1-21-10-9-18-8-7-17-14(16(18)20)11-15(19)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyCQHGNFWGIWJRTF-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 70046324
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
CID 110282954
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64881776
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992
methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
CID 86316765
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate
CID 69362686
2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 110283661

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate (CID 110282921) is benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate is COCCN1CCNC(CC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is CQHGNFWGIWJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-10-9-18-8-7-17-14(16(18)20)11-15(19)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3.
What are the key properties of benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate?
benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 306.36 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 110282921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).