(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid

C21H24N2O5 — CID 97191045

IUPAC(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
SMILESCOc1cccc(CN2CCN([C@@H](C(=O)O)c3ccccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-27-16-7-5-6-15(12-16)13-22-10-11-23(14-19(22)24)20(21(25)26)17-8-3-4-9-18(17)28-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyWZUBFWPVUPPCBI-HXUWFJFHSA-N
MW384.43 g/mol
LogP2.17
Rot. Bonds7

About (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid

(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid (PubChem CID 97191045) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
PubChem CID97191045
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
SMILESCOc1cccc(CN2CCN([C@@H](C(=O)O)c3ccccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-27-16-7-5-6-15(12-16)13-22-10-11-23(14-19(22)24)20(21(25)26)17-8-3-4-9-18(17)28-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyWZUBFWPVUPPCBI-HXUWFJFHSA-N
XLogP2.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid with MolForge

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Related Compounds

(2R)-2-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 97280913
2-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 72908462
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethoxyphenyl)acetic acid
CID 97188502
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45243624
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid (CID 97191045) is (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid is COc1cccc(CN2CCN([C@@H](C(=O)O)c3ccccc3OC)CC2=O)c1.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid?
The InChIKey is WZUBFWPVUPPCBI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-16-7-5-6-15(12-16)13-22-10-11-23(14-19(22)24)20(21(25)26)17-8-3-4-9-18(17)28-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid?
(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 97191045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).