1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C27H33N3O5 — CID 45172637

IUPAC1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O
InChIInChI=1S/C27H33N3O5/c1-28-13-14-29(22(19-28)20-9-5-4-6-10-20)24(31)17-27(21-11-7-8-12-23(21)35-3)18-25(32)30(26(27)33)15-16-34-2/h4-12,22H,13-19H2,1-3H3/t22-,27?/m1/s1
InChIKeyMITRPKJJICJWJS-XVPAFAEQSA-N
MW479.58 g/mol
LogP2.24
Rot. Bonds8

About 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45172637) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45172637
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O
InChIInChI=1S/C27H33N3O5/c1-28-13-14-29(22(19-28)20-9-5-4-6-10-20)24(31)17-27(21-11-7-8-12-23(21)35-3)18-25(32)30(26(27)33)15-16-34-2/h4-12,22H,13-19H2,1-3H3/t22-,27?/m1/s1
InChIKeyMITRPKJJICJWJS-XVPAFAEQSA-N
XLogP2.24
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98590702
(3R)-3-[2-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98347590
(3S)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(3S)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42436297
(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42321924
methyl (2S)-1-[2-[(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxylate
CID 42191101
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26333176
(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26363699
(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[(3R)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42464813
3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45188300
3-[2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45223495
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45182791

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45172637) is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COCCN1C(=O)CC(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is MITRPKJJICJWJS-XVPAFAEQSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-28-13-14-29(22(19-28)20-9-5-4-6-10-20)24(31)17-27(21-11-7-8-12-23(21)35-3)18-25(32)30(26(27)33)15-16-34-2/h4-12,22H,13-19H2,1-3H3/t22-,27?/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 479.58 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45172637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).