1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C26H34N2O2 — CID 94013819

About 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 94013819) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• PubChem CID: 94013819
• Molecular Formula: C26H34N2O2
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.26
• IUPAC Name: 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1
• InChI: InChI=1S/C26H34N2O2/c1-18-9-10-22-23(16-26(3,4)30-24(22)15-18)27-25(29)20-11-13-28(14-12-20)17-21-8-6-5-7-19(21)2/h5-10,15,20,23H,11-14,16-17H2,1-4H3,(H,27,29)/t23-/m1/s1
• InChIKey: HPGOXJULCLXKHY-HSZRJFAPSA-N
• XLogP: 4.93
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 94013819) is 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1.

What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The InChIKey is HPGOXJULCLXKHY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-18-9-10-22-23(16-26(3,4)30-24(22)15-18)27-25(29)20-11-13-28(14-12-20)17-21-8-6-5-7-19(21)2/h5-10,15,20,23H,11-14,16-17H2,1-4H3,(H,27,29)/t23-/m1/s1.

What are the key properties of 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94013819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).