(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

C28H32N4O4 — CID 978676

IUPAC(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5cc(C)cc(C)c5)C4=O)CC3)C2=O)c1
InChIInChI=1S/C28H32N4O4/c1-17-9-18(2)12-21(11-17)31-25(33)15-23(27(31)35)29-5-7-30(8-6-29)24-16-26(34)32(28(24)36)22-13-19(3)10-20(4)14-22/h9-14,23-24H,5-8,15-16H2,1-4H3/t23-,24-/m0/s1
InChIKeyRXYBIHOCQLKACU-ZEQRLZLVSA-N
MW488.59 g/mol
LogP2.50
Rot. Bonds4

About (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 978676) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID978676
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5cc(C)cc(C)c5)C4=O)CC3)C2=O)c1
InChIInChI=1S/C28H32N4O4/c1-17-9-18(2)12-21(11-17)31-25(33)15-23(27(31)35)29-5-7-30(8-6-29)24-16-26(34)32(28(24)36)22-13-19(3)10-20(4)14-22/h9-14,23-24H,5-8,15-16H2,1-4H3/t23-,24-/m0/s1
InChIKeyRXYBIHOCQLKACU-ZEQRLZLVSA-N
XLogP2.50
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.50
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-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 30467723
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1130382
(3S)-1-(3-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1115570
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
(3S)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 1113020
ethyl 4-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 7246428
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1213323

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 978676) is (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5cc(C)cc(C)c5)C4=O)CC3)C2=O)c1.
What is the InChIKey of (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is RXYBIHOCQLKACU-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-17-9-18(2)12-21(11-17)31-25(33)15-23(27(31)35)29-5-7-30(8-6-29)24-16-26(34)32(28(24)36)22-13-19(3)10-20(4)14-22/h9-14,23-24H,5-8,15-16H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 488.59 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 978676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).