methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate

C19H28N2O4 — CID 95728178

IUPACmethyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)11-21-9-8-20(14(3)18(21)22)12-16-10-15(19(23)25-5)6-7-17(16)24-4/h6-7,10,13-14H,8-9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyVEEDDGRTEGPAEG-CQSZACIVSA-N
MW348.44 g/mol
LogP2.17
Rot. Bonds6

About methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate

methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate (PubChem CID 95728178) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
PubChem CID95728178
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)11-21-9-8-20(14(3)18(21)22)12-16-10-15(19(23)25-5)6-7-17(16)24-4/h6-7,10,13-14H,8-9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyVEEDDGRTEGPAEG-CQSZACIVSA-N
XLogP2.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate with MolForge

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Related Compounds

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70784052
methyl 3-[3-methyl-1-(2-methylpropyl)-2-oxopiperidin-4-yl]benzoate
CID 175319279
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70776408
(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 136829958
methyl 4-chloro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoate
CID 120839051
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
CID 62018786

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate (CID 95728178) is methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate is COC(=O)c1ccc(OC)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1.
What is the InChIKey of methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate?
The InChIKey is VEEDDGRTEGPAEG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)11-21-9-8-20(14(3)18(21)22)12-16-10-15(19(23)25-5)6-7-17(16)24-4/h6-7,10,13-14H,8-9,11-12H2,1-5H3/t14-/m1/s1.
What are the key properties of methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate?
methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate has a molecular weight of 348.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 95728178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).