methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate

C16H22N2O4 — CID 952254

IUPACmethyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-22-13-6-4-12(5-7-13)11-18-9-8-17-16(20)14(18)10-15(19)21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyCTSPYXVEGKROAA-CQSZACIVSA-N
MW306.36 g/mol
LogP0.95
Rot. Bonds6

About methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 952254) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID952254
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-22-13-6-4-12(5-7-13)11-18-9-8-17-16(20)14(18)10-15(19)21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyCTSPYXVEGKROAA-CQSZACIVSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 45251521
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 56900647
N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 24791629
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
CID 47010477
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42095722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 952254) is methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate is CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is CTSPYXVEGKROAA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-13-6-4-12(5-7-13)11-18-9-8-17-16(20)14(18)10-15(19)21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 306.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 952254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).