2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

C52H66N8O8 — CID 146607891

About 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (PubChem CID 146607891) has the molecular formula C52H66N8O8 and a molecular weight of 931.15 g/mol. Its IUPAC name is 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• PubChem CID: 146607891
• Molecular Formula: C52H66N8O8
• Molecular Weight: 931.15 g/mol
• Exact Mass: 930.50
• IUPAC Name: 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• SMILES: COc1cccc(C(C(=O)OCOc2ccccc2C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)c1
• InChI: InChI=1S/C52H66N8O8/c1-66-42-14-4-9-39(33-42)45(59-29-21-37(22-30-59)49(61)55-27-7-12-40-19-17-35-10-5-25-53-47(35)57-40)52(65)68-34-67-44-16-3-2-15-43(44)46(51(63)64)60-31-23-38(24-32-60)50(62)56-28-8-13-41-20-18-36-11-6-26-54-48(36)58-41/h2-4,9,14-20,33,37-38,45-46H,5-8,10-13,21-32,34H2,1H3,(H,53,57)(H,54,58)(H,55,61)(H,56,62)(H,63,64)
• InChIKey: UKTRBLRFKOIMOI-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 196.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.15
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The IUPAC name of 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (CID 146607891) is 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

What is the SMILES notation for 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The canonical SMILES for 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is COc1cccc(C(C(=O)OCOc2ccccc2C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)c1.

What is the InChIKey of 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The InChIKey is UKTRBLRFKOIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H66N8O8/c1-66-42-14-4-9-39(33-42)45(59-29-21-37(22-30-59)49(61)55-27-7-12-40-19-17-35-10-5-25-53-47(35)57-40)52(65)68-34-67-44-16-3-2-15-43(44)46(51(63)64)60-31-23-38(24-32-60)50(62)56-28-8-13-41-20-18-36-11-6-26-54-48(36)58-41/h2-4,9,14-20,33,37-38,45-46H,5-8,10-13,21-32,34H2,1H3,(H,53,57)(H,54,58)(H,55,61)(H,56,62)(H,63,64).

What are the key properties of 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 931.15 g/mol, XLogP of 5.87, 20 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetyl]oxymethoxy]phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 146607891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).