N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide

C16H17N3O4 — CID 174330620

IUPACN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(=O)NC2=O)c2c1CC(C)=N2
InChIInChI=1S/C16H17N3O4/c1-8-7-10-12(23-2)5-3-9(14(10)17-8)15(21)18-11-4-6-13(20)19-16(11)22/h3,5,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyROFUFRDSPUMVNH-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.88
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide

N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide (PubChem CID 174330620) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide
PubChem CID174330620
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(=O)NC2=O)c2c1CC(C)=N2
InChIInChI=1S/C16H17N3O4/c1-8-7-10-12(23-2)5-3-9(14(10)17-8)15(21)18-11-4-6-13(20)19-16(11)22/h3,5,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyROFUFRDSPUMVNH-UHFFFAOYSA-N
XLogP0.88
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
CID 156551077
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
CID 171788521
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide (CID 174330620) is N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide is COc1ccc(C(=O)NC2CCC(=O)NC2=O)c2c1CC(C)=N2.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide?
The InChIKey is ROFUFRDSPUMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-8-7-10-12(23-2)5-3-9(14(10)17-8)15(21)18-11-4-6-13(20)19-16(11)22/h3,5,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methyl-3H-indole-7-carboxamide is sourced from PubChem (CID 174330620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).