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

C17H24N2O3 — CID 93319686

IUPACethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(C)c(C)c2)C(=O)[C@H]1C
InChIInChI=1S/C17H24N2O3/c1-5-22-16(20)11-18-8-9-19(17(21)14(18)4)15-7-6-12(2)13(3)10-15/h6-7,10,14H,5,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyYLUZECRPNAROFQ-CQSZACIVSA-N
MW304.39 g/mol
LogP1.90
Rot. Bonds4

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

ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (PubChem CID 93319686) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
PubChem CID93319686
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(C)c(C)c2)C(=O)[C@H]1C
InChIInChI=1S/C17H24N2O3/c1-5-22-16(20)11-18-8-9-19(17(21)14(18)4)15-7-6-12(2)13(3)10-15/h6-7,10,14H,5,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyYLUZECRPNAROFQ-CQSZACIVSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716088
ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
CID 93321373
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098
1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716639
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
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
(3S)-4-(3,3-dimethylbutanoyl)-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322014
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
CID 93321640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (CID 93319686) is ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(C)c(C)c2)C(=O)[C@H]1C.
What is the InChIKey of ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The InChIKey is YLUZECRPNAROFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-22-16(20)11-18-8-9-19(17(21)14(18)4)15-7-6-12(2)13(3)10-15/h6-7,10,14H,5,8-9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate has a molecular weight of 304.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 93319686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).