4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide

C23H28N6O — CID 59694160

About 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide

4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide (PubChem CID 59694160) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide
• PubChem CID: 59694160
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide
• SMILES: NC(=O)N1CCC(N(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)CC1
• InChI: InChI=1S/C23H28N6O/c24-23(30)28-13-10-17(11-14-28)29(15-21-26-18-7-1-2-8-19(18)27-21)20-9-3-5-16-6-4-12-25-22(16)20/h1-2,4,6-8,12,17,20H,3,5,9-11,13-15H2,(H2,24,30)(H,26,27)
• InChIKey: UMXIRZAMUSMJEE-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 91.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide?

The IUPAC name of 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide (CID 59694160) is 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide.

What is the SMILES notation for 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide?

The canonical SMILES for 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide is NC(=O)N1CCC(N(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)CC1.

What is the InChIKey of 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide?

The InChIKey is UMXIRZAMUSMJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c24-23(30)28-13-10-17(11-14-28)29(15-21-26-18-7-1-2-8-19(18)27-21)20-9-3-5-16-6-4-12-25-22(16)20/h1-2,4,6-8,12,17,20H,3,5,9-11,13-15H2,(H2,24,30)(H,26,27).

What are the key properties of 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide?

4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 59694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).