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

C16H22N2O3 — CID 93321373

IUPACethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2C)C(=O)[C@H]1C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)11-17-9-10-18(16(20)13(17)3)14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1
InChIKeyHQVIOJAKDUVMFC-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.60
Rot. Bonds4

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

ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate (PubChem CID 93321373) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
PubChem CID93321373
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2C)C(=O)[C@H]1C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)11-17-9-10-18(16(20)13(17)3)14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1
InChIKeyHQVIOJAKDUVMFC-CYBMUJFWSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716589
ethyl 2-[(2R)-4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93321113
ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93319686
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716088
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3R)-4-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322431
5-methyl-3-(2-methylphenyl)-1-propylimidazolidin-4-one
CID 10082685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate (CID 93321373) is ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccccc2C)C(=O)[C@H]1C.
What is the InChIKey of ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate?
The InChIKey is HQVIOJAKDUVMFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-15(19)11-17-9-10-18(16(20)13(17)3)14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate?
ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 93321373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).