1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one

C24H26N4O3 — CID 172665955

About 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one

1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172665955) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
• PubChem CID: 172665955
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
• SMILES: Cc1noc(C2CCCCN2C(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)n1
• InChI: InChI=1S/C24H26N4O3/c1-15-12-14-28(19-11-6-8-17-7-5-9-18(17)19)24(30)21(15)23(29)27-13-4-3-10-20(27)22-25-16(2)26-31-22/h6,8,11-12,14,20H,3-5,7,9-10,13H2,1-2H3
• InChIKey: VAVRTAQUZZGMBX-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 81.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one?

The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one (CID 172665955) is 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1noc(C2CCCCN2C(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)n1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one?

The InChIKey is VAVRTAQUZZGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15-12-14-28(19-11-6-8-17-7-5-9-18(17)19)24(30)21(15)23(29)27-13-4-3-10-20(27)22-25-16(2)26-31-22/h6,8,11-12,14,20H,3-5,7,9-10,13H2,1-2H3.

What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one?

1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172665955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).