ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate

C23H26N4O3 — CID 51933788

About ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate

ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 51933788) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate
• PubChem CID: 51933788
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)C1
• InChI: InChI=1S/C23H26N4O3/c1-3-30-23(29)26-13-8-12-18(15-26)22(28)25-21-19(17-10-5-4-6-11-17)24-20-16(2)9-7-14-27(20)21/h4-7,9-11,14,18H,3,8,12-13,15H2,1-2H3,(H,25,28)/t18-/m0/s1
• InChIKey: HUAUCTKEDRXWMA-SFHVURJKSA-N
• XLogP: 4.12
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate?

The IUPAC name of ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate (CID 51933788) is ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate.

What is the SMILES notation for ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate?

The canonical SMILES for ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)C1.

What is the InChIKey of ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate?

The InChIKey is HUAUCTKEDRXWMA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-23(29)26-13-8-12-18(15-26)22(28)25-21-19(17-10-5-4-6-11-17)24-20-16(2)9-7-14-27(20)21/h4-7,9-11,14,18H,3,8,12-13,15H2,1-2H3,(H,25,28)/t18-/m0/s1.

What are the key properties of ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate?

ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3S)-3-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51933788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).