N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide

C21H19N3O3 — CID 166343920

IUPACN-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)CC(=O)N1
InChIInChI=1S/C21H19N3O3/c25-19-10-15(11-20(26)23-19)21(27)22-17-13-24(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2,(H,22,27)(H,23,25,26)
InChIKeyCDVWHLMYPIRZAU-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.68
Rot. Bonds4

About N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide

N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide (PubChem CID 166343920) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide
PubChem CID166343920
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)CC(=O)N1
InChIInChI=1S/C21H19N3O3/c25-19-10-15(11-20(26)23-19)21(27)22-17-13-24(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2,(H,22,27)(H,23,25,26)
InChIKeyCDVWHLMYPIRZAU-UHFFFAOYSA-N
XLogP2.68
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-O-tert-butyl 4-O-methyl 5-(1-benzylindol-3-yl)pyrrolidine-2,4-dicarboxylate
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N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide?
The IUPAC name of N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide (CID 166343920) is N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide is O=C1CC(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)CC(=O)N1.
What is the InChIKey of N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide?
The InChIKey is CDVWHLMYPIRZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19-10-15(11-20(26)23-19)21(27)22-17-13-24(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2,(H,22,27)(H,23,25,26).
What are the key properties of N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide?
N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide is sourced from PubChem (CID 166343920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).