1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C30H34N4O2 — CID 124824584

About 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 124824584) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
• PubChem CID: 124824584
• Molecular Formula: C30H34N4O2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.27
• IUPAC Name: 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
• SMILES: COc1ccc(Cn2c(CN3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)nc3ccccc32)cc1
• InChI: InChI=1S/C30H34N4O2/c1-22(24-8-4-3-5-9-24)31-30(35)25-16-18-33(19-17-25)21-29-32-27-10-6-7-11-28(27)34(29)20-23-12-14-26(36-2)15-13-23/h3-15,22,25H,16-21H2,1-2H3,(H,31,35)/t22-/m1/s1
• InChIKey: KCJFCAGCGQXWCD-JOCHJYFZSA-N
• XLogP: 5.18
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 124824584) is 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is COc1ccc(Cn2c(CN3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)nc3ccccc32)cc1.

What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?

The InChIKey is KCJFCAGCGQXWCD-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(24-8-4-3-5-9-24)31-30(35)25-16-18-33(19-17-25)21-29-32-27-10-6-7-11-28(27)34(29)20-23-12-14-26(36-2)15-13-23/h3-15,22,25H,16-21H2,1-2H3,(H,31,35)/t22-/m1/s1.

What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?

1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 124824584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).