2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C27H26N6O3 — CID 16548279

About 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 16548279) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
• PubChem CID: 16548279
• Molecular Formula: C27H26N6O3
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.21
• IUPAC Name: 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
• SMILES: COc1ccccc1C1C(C(=O)Nc2cccc(-n3cnnn3)c2)CCC(=O)N1c1ccc(C)cc1
• InChI: InChI=1S/C27H26N6O3/c1-18-10-12-20(13-11-18)33-25(34)15-14-23(26(33)22-8-3-4-9-24(22)36-2)27(35)29-19-6-5-7-21(16-19)32-17-28-30-31-32/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,29,35)
• InChIKey: CKBVFGCAGIGBCW-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 16548279) is 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is COc1ccccc1C1C(C(=O)Nc2cccc(-n3cnnn3)c2)CCC(=O)N1c1ccc(C)cc1.

What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?

The InChIKey is CKBVFGCAGIGBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-18-10-12-20(13-11-18)33-25(34)15-14-23(26(33)22-8-3-4-9-24(22)36-2)27(35)29-19-6-5-7-21(16-19)32-17-28-30-31-32/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,29,35).

What are the key properties of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?

2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 16548279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).