N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

C25H24N4O3 — CID 45220000

About N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 45220000) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
• PubChem CID: 45220000
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)no1
• InChI: InChI=1S/C25H24N4O3/c1-16-12-23(28-32-16)25(31)29-11-5-8-19(15-29)24(30)26-20-9-4-7-17(13-20)22-14-18-6-2-3-10-21(18)27-22/h2-4,6-7,9-10,12-14,19,27H,5,8,11,15H2,1H3,(H,26,30)
• InChIKey: KDZYZMOGQSFQBM-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 91.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (CID 45220000) is N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)no1.

What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?

The InChIKey is KDZYZMOGQSFQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-12-23(28-32-16)25(31)29-11-5-8-19(15-29)24(30)26-20-9-4-7-17(13-20)22-14-18-6-2-3-10-21(18)27-22/h2-4,6-7,9-10,12-14,19,27H,5,8,11,15H2,1H3,(H,26,30).

What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?

N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45220000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).