methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

C32H34N2O6 — CID 58025361

About methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (PubChem CID 58025361) has the molecular formula C32H34N2O6 and a molecular weight of 542.63 g/mol. Its IUPAC name is methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
• PubChem CID: 58025361
• Molecular Formula: C32H34N2O6
• Molecular Weight: 542.63 g/mol
• Exact Mass: 542.24
• IUPAC Name: methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
• SMILES: COC(=O)[C@]1(c2ccccc2)CC[C@@H](C(=O)N2CCC(NC(=O)c3cc(O)ccc3OC)CC2)c2ccccc21
• InChI: InChI=1S/C32H34N2O6/c1-39-28-13-12-23(35)20-26(28)29(36)33-22-15-18-34(19-16-22)30(37)25-14-17-32(31(38)40-2,21-8-4-3-5-9-21)27-11-7-6-10-24(25)27/h3-13,20,22,25,35H,14-19H2,1-2H3,(H,33,36)/t25-,32+/m1/s1
• InChIKey: UKVLWXICDACBIV-GOXGLGGOSA-N
• XLogP: 4.16
• TPSA: 105.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.63
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?

The IUPAC name of methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (CID 58025361) is methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.

What is the SMILES notation for methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?

The canonical SMILES for methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is COC(=O)[C@]1(c2ccccc2)CC[C@@H](C(=O)N2CCC(NC(=O)c3cc(O)ccc3OC)CC2)c2ccccc21.

What is the InChIKey of methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?

The InChIKey is UKVLWXICDACBIV-GOXGLGGOSA-N. The full InChI is InChI=1S/C32H34N2O6/c1-39-28-13-12-23(35)20-26(28)29(36)33-22-15-18-34(19-16-22)30(37)25-14-17-32(31(38)40-2,21-8-4-3-5-9-21)27-11-7-6-10-24(25)27/h3-13,20,22,25,35H,14-19H2,1-2H3,(H,33,36)/t25-,32+/m1/s1.

What are the key properties of methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?

methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate has a molecular weight of 542.63 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1S,4R)-4-[4-[(5-hydroxy-2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is sourced from PubChem (CID 58025361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).