1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide

C33H38N4O2 — CID 70275287

About 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide

1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide (PubChem CID 70275287) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
• PubChem CID: 70275287
• Molecular Formula: C33H38N4O2
• Molecular Weight: 522.69 g/mol
• Exact Mass: 522.30
• IUPAC Name: 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
• SMILES: COc1ccc(Cn2cncc2[C@H](C)NC(=O)C2CCCN(CC(c3ccccc3)c3ccccc3)C2)cc1
• InChI: InChI=1S/C33H38N4O2/c1-25(32-20-34-24-37(32)21-26-15-17-30(39-2)18-16-26)35-33(38)29-14-9-19-36(22-29)23-31(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,20,24-25,29,31H,9,14,19,21-23H2,1-2H3,(H,35,38)/t25-,29?/m0/s1
• InChIKey: XSVBXTFWRLNHHX-GMMLNUAGSA-N
• XLogP: 5.66
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.69
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide (CID 70275287) is 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide is COc1ccc(Cn2cncc2[C@H](C)NC(=O)C2CCCN(CC(c3ccccc3)c3ccccc3)C2)cc1.

What is the InChIKey of 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?

The InChIKey is XSVBXTFWRLNHHX-GMMLNUAGSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-25(32-20-34-24-37(32)21-26-15-17-30(39-2)18-16-26)35-33(38)29-14-9-19-36(22-29)23-31(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,20,24-25,29,31H,9,14,19,21-23H2,1-2H3,(H,35,38)/t25-,29?/m0/s1.

What are the key properties of 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?

1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-diphenylethyl)-N-[(1S)-1-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 70275287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).