tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid

C60H84N6O11 — CID 159988655

About tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid

tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid (PubChem CID 159988655) has the molecular formula C60H84N6O11 and a molecular weight of 1065.36 g/mol. Its IUPAC name is tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid
• PubChem CID: 159988655
• Molecular Formula: C60H84N6O11
• Molecular Weight: 1065.36 g/mol
• Exact Mass: 1064.62
• IUPAC Name: tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid
• SMILES: CCCCCc1ccc(C(=O)N(Cc2ccc(C(=O)OC)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCCCCc1ccc(C(=O)O)nc1.COC(=O)c1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1
• InChI: InChI=1S/C30H41N3O5.C19H28N2O4.C11H15NO2/c1-6-7-8-9-22-12-15-26(31-20-22)27(34)33(21-23-10-13-24(14-11-23)28(35)37-5)25-16-18-32(19-17-25)29(36)38-30(2,3)4;1-19(2,3)25-18(23)21-11-9-16(10-12-21)20-13-14-5-7-15(8-6-14)17(22)24-4;1-2-3-4-5-9-6-7-10(11(13)14)12-8-9/h10-15,20,25H,6-9,16-19,21H2,1-5H3;5-8,16,20H,9-13H2,1-4H3;6-8H,2-5H2,1H3,(H,13,14)
• InChIKey: OGQSZAJWMKYDOM-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 207.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.36
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid?

The IUPAC name of tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid (CID 159988655) is tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid.

What is the SMILES notation for tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid?

The canonical SMILES for tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid is CCCCCc1ccc(C(=O)N(Cc2ccc(C(=O)OC)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCCCCc1ccc(C(=O)O)nc1.COC(=O)c1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1.

What is the InChIKey of tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid?

The InChIKey is OGQSZAJWMKYDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O5.C19H28N2O4.C11H15NO2/c1-6-7-8-9-22-12-15-26(31-20-22)27(34)33(21-23-10-13-24(14-11-23)28(35)37-5)25-16-18-32(19-17-25)29(36)38-30(2,3)4;1-19(2,3)25-18(23)21-11-9-16(10-12-21)20-13-14-5-7-15(8-6-14)17(22)24-4;1-2-3-4-5-9-6-7-10(11(13)14)12-8-9/h10-15,20,25H,6-9,16-19,21H2,1-5H3;5-8,16,20H,9-13H2,1-4H3;6-8H,2-5H2,1H3,(H,13,14).

What are the key properties of tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid?

tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid has a molecular weight of 1065.36 g/mol, XLogP of 11.12, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid is sourced from PubChem (CID 159988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).