(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C25H29N5O — CID 92876891

About (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 92876891) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
• PubChem CID: 92876891
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
• SMILES: Cc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)[nH]c2c1
• InChI: InChI=1S/C25H29N5O/c1-16-5-7-21-20(12-16)18(14-27-21)9-10-26-24(31)19-4-3-11-30(15-19)25-28-22-8-6-17(2)13-23(22)29-25/h5-8,12-14,19,27H,3-4,9-11,15H2,1-2H3,(H,26,31)(H,28,29)/t19-/m0/s1
• InChIKey: PWXHSPWLPNIOFL-IBGZPJMESA-N
• XLogP: 4.24
• TPSA: 76.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 92876891) is (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is Cc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)[nH]c2c1.

What is the InChIKey of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?

The InChIKey is PWXHSPWLPNIOFL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-5-7-21-20(12-16)18(14-27-21)9-10-26-24(31)19-4-3-11-30(15-19)25-28-22-8-6-17(2)13-23(22)29-25/h5-8,12-14,19,27H,3-4,9-11,15H2,1-2H3,(H,26,31)(H,28,29)/t19-/m0/s1.

What are the key properties of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?

(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92876891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).