1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide

C20H26N4O3S — CID 121023240

About 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 121023240) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 121023240
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
• SMILES: CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)CC1
• InChI: InChI=1S/C20H26N4O3S/c1-28(26,27)24-12-9-15(10-13-24)20(25)22-17-7-3-2-6-16(17)18-14-23-11-5-4-8-19(23)21-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,22,25)
• InChIKey: YREVORPOLYGOLW-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide (CID 121023240) is 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)CC1.

What is the InChIKey of 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is YREVORPOLYGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-28(26,27)24-12-9-15(10-13-24)20(25)22-17-7-3-2-6-16(17)18-14-23-11-5-4-8-19(23)21-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,22,25).

What are the key properties of 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide?

1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 121023240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).