3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

C28H33N3O4 — CID 5300778

IUPAC3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)c1
InChIInChI=1S/C28H33N3O4/c1-35-24-9-5-8-23(18-24)31-26(32)19-25(28(31)34)29-14-10-20(11-15-29)21-12-16-30(17-13-21)27(33)22-6-3-2-4-7-22/h2-9,18,20-21,25H,10-17,19H2,1H3
InChIKeyUKWLGNGUUGRADO-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.59
Rot. Bonds5

About 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 5300778) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID5300778
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)c1
InChIInChI=1S/C28H33N3O4/c1-35-24-9-5-8-23(18-24)31-26(32)19-25(28(31)34)29-14-10-20(11-15-29)21-12-16-30(17-13-21)27(33)22-6-3-2-4-7-22/h2-9,18,20-21,25H,10-17,19H2,1H3
InChIKeyUKWLGNGUUGRADO-UHFFFAOYSA-N
XLogP3.59
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.59
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)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51859533
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
(3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51531780
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2952741
1-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059
(3R)-3-[4-(4-benzoylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 41242699
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
(3R)-1-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261241
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 5300778) is 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(N3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)c1.
What is the InChIKey of 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is UKWLGNGUUGRADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-35-24-9-5-8-23(18-24)31-26(32)19-25(28(31)34)29-14-10-20(11-15-29)21-12-16-30(17-13-21)27(33)22-6-3-2-4-7-22/h2-9,18,20-21,25H,10-17,19H2,1H3.
What are the key properties of 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 475.59 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5300778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).