2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

C31H36N4O3 — CID 67178160

About 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 67178160) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
• PubChem CID: 67178160
• Molecular Formula: C31H36N4O3
• Molecular Weight: 512.65 g/mol
• Exact Mass: 512.28
• IUPAC Name: 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
• SMILES: CC(C)CC1(N(Cc2ccccc2)Cc2ccccc2)CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O
• InChI: InChI=1S/C31H36N4O3/c1-23(2)19-31(33(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)20-26(17-18-34(31)30(37)38)35-28-16-10-9-15-27(28)32-29(35)36/h3-16,23,26H,17-22H2,1-2H3,(H,32,36)(H,37,38)
• InChIKey: XIOBCHDWXRWBBG-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 81.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.65
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?

The IUPAC name of 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 67178160) is 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

What is the SMILES notation for 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?

The canonical SMILES for 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is CC(C)CC1(N(Cc2ccccc2)Cc2ccccc2)CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O.

What is the InChIKey of 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?

The InChIKey is XIOBCHDWXRWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-23(2)19-31(33(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)20-26(17-18-34(31)30(37)38)35-28-16-10-9-15-27(28)32-29(35)36/h3-16,23,26H,17-22H2,1-2H3,(H,32,36)(H,37,38).

What are the key properties of 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?

2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 512.65 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dibenzylamino)-2-(2-methylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67178160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).