1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C25H24N6O4 — CID 55833378

IUPAC1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H24N6O4/c32-20-11-12-21(33)30(20)17-22(34)28-13-15-29(16-14-28)25(35)23-26-24(18-7-3-1-4-8-18)31(27-23)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyDMYCXCIVSKYENC-UHFFFAOYSA-N
MW472.51 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55833378) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55833378
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H24N6O4/c32-20-11-12-21(33)30(20)17-22(34)28-13-15-29(16-14-28)25(35)23-26-24(18-7-3-1-4-8-18)31(27-23)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyDMYCXCIVSKYENC-UHFFFAOYSA-N
XLogP1.37
TPSA108.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 46555232
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 60508151
(1,5-diphenyl-1,2,4-triazol-3-yl)-(9-thia-3-azabicyclo[4.2.1]nonan-3-yl)methanone
CID 166246859
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
[4-(cyclohexylmethoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 146089390
2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one
CID 166191015

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55833378) is 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is DMYCXCIVSKYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c32-20-11-12-21(33)30(20)17-22(34)28-13-15-29(16-14-28)25(35)23-26-24(18-7-3-1-4-8-18)31(27-23)19-9-5-2-6-10-19/h1-10H,11-17H2.
What are the key properties of 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 472.51 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55833378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).