2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C20H22N4O2 — CID 95208006

About 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 95208006) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
• PubChem CID: 95208006
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
• SMILES: Cc1cccc2[nH]c([C@@H]3CCCN(Cc4ncccc4C(=O)O)C3)nc12
• InChI: InChI=1S/C20H22N4O2/c1-13-5-2-8-16-18(13)23-19(22-16)14-6-4-10-24(11-14)12-17-15(20(25)26)7-3-9-21-17/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,22,23)(H,25,26)/t14-/m1/s1
• InChIKey: CTHZCSYHVKWQOR-CQSZACIVSA-N
• XLogP: 3.34
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?

The IUPAC name of 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 95208006) is 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is Cc1cccc2[nH]c([C@@H]3CCCN(Cc4ncccc4C(=O)O)C3)nc12.

What is the InChIKey of 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?

The InChIKey is CTHZCSYHVKWQOR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-5-2-8-16-18(13)23-19(22-16)14-6-4-10-24(11-14)12-17-15(20(25)26)7-3-9-21-17/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,22,23)(H,25,26)/t14-/m1/s1.

What are the key properties of 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?

2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95208006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).