3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C28H32N2O5 — CID 45209718

IUPAC3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCCC(C(=O)CCc3ccccc3)C2)CC(=O)N(C)C1=O
InChIInChI=1S/C28H32N2O5/c1-29-25(32)17-28(27(29)34,22-12-6-7-13-24(22)35-2)18-26(33)30-16-8-11-21(19-30)23(31)15-14-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,8,11,14-19H2,1-2H3
InChIKeyIAAHZZQZSKXUND-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.15
Rot. Bonds8

About 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 45209718) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID45209718
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCCC(C(=O)CCc3ccccc3)C2)CC(=O)N(C)C1=O
InChIInChI=1S/C28H32N2O5/c1-29-25(32)17-28(27(29)34,22-12-6-7-13-24(22)35-2)18-26(33)30-16-8-11-21(19-30)23(31)15-14-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,8,11,14-19H2,1-2H3
InChIKeyIAAHZZQZSKXUND-UHFFFAOYSA-N
XLogP3.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462765
(3R)-3-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462732
(3S)-3-(2-methoxyphenyl)-3-[2-[(3R)-3-methoxypiperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42377384
3-(2-methoxyphenyl)-1-methyl-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45234214
(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42317641
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
(3S)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(3S)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42436297
3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45188300
(3R)-1-methyl-3-[2-[(3S)-3-(3-methylbutanoyl)piperidin-1-yl]-2-oxoethyl]-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42168052
3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45206108
1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45251128
3-(2-chlorophenyl)-1-methyl-3-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45166152

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 45209718) is 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is COc1ccccc1C1(CC(=O)N2CCCC(C(=O)CCc3ccccc3)C2)CC(=O)N(C)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is IAAHZZQZSKXUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-29-25(32)17-28(27(29)34,22-12-6-7-13-24(22)35-2)18-26(33)30-16-8-11-21(19-30)23(31)15-14-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,8,11,14-19H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 476.57 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45209718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).