(1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate

C27H32N4O4 — CID 91419231

About (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate

(1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 91419231) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate
• PubChem CID: 91419231
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate
• SMILES: COc1cccc(-c2nc(C3CCN(C(=O)OC4(C(N)=O)CCCCC4)CC3)n3ccccc23)c1
• InChI: InChI=1S/C27H32N4O4/c1-34-21-9-7-8-20(18-21)23-22-10-3-6-15-31(22)24(29-23)19-11-16-30(17-12-19)26(33)35-27(25(28)32)13-4-2-5-14-27/h3,6-10,15,18-19H,2,4-5,11-14,16-17H2,1H3,(H2,28,32)
• InChIKey: ABNAEFXJEIMYGV-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 99.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate?

The IUPAC name of (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate (CID 91419231) is (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate.

What is the SMILES notation for (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate?

The canonical SMILES for (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate is COc1cccc(-c2nc(C3CCN(C(=O)OC4(C(N)=O)CCCCC4)CC3)n3ccccc23)c1.

What is the InChIKey of (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate?

The InChIKey is ABNAEFXJEIMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-34-21-9-7-8-20(18-21)23-22-10-3-6-15-31(22)24(29-23)19-11-16-30(17-12-19)26(33)35-27(25(28)32)13-4-2-5-14-27/h3,6-10,15,18-19H,2,4-5,11-14,16-17H2,1H3,(H2,28,32).

What are the key properties of (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate?

(1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 476.58 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-carbamoylcyclohexyl) 4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 91419231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).