(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

C25H34N4O4 — CID 121339066

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCc1c(CN2CC3CN(C(=O)ON4C(=O)CCC4=O)CC3C2)cccc1N1CCC(C)CC1
InChIInChI=1S/C25H34N4O4/c1-17-8-10-27(11-9-17)22-5-3-4-19(18(22)2)12-26-13-20-15-28(16-21(20)14-26)25(32)33-29-23(30)6-7-24(29)31/h3-5,17,20-21H,6-16H2,1-2H3
InChIKeyWEZPDYIPLPPMOZ-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.80
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 121339066) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID121339066
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCc1c(CN2CC3CN(C(=O)ON4C(=O)CCC4=O)CC3C2)cccc1N1CCC(C)CC1
InChIInChI=1S/C25H34N4O4/c1-17-8-10-27(11-9-17)22-5-3-4-19(18(22)2)12-26-13-20-15-28(16-21(20)14-26)25(32)33-29-23(30)6-7-24(29)31/h3-5,17,20-21H,6-16H2,1-2H3
InChIKeyWEZPDYIPLPPMOZ-UHFFFAOYSA-N
XLogP2.80
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (CID 121339066) is (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is Cc1c(CN2CC3CN(C(=O)ON4C(=O)CCC4=O)CC3C2)cccc1N1CCC(C)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is WEZPDYIPLPPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-17-8-10-27(11-9-17)22-5-3-4-19(18(22)2)12-26-13-20-15-28(16-21(20)14-26)25(32)33-29-23(30)6-7-24(29)31/h3-5,17,20-21H,6-16H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 121339066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).