tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate

C28H36N4O5 — CID 66746573

About tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate (PubChem CID 66746573) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
• PubChem CID: 66746573
• Molecular Formula: C28H36N4O5
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.27
• IUPAC Name: tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
• SMILES: COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)c(OCc3ccccc3)c2n1
• InChI: InChI=1S/C28H36N4O5/c1-28(2,3)37-27(33)30-21-12-14-32(15-13-21)16-17-35-23-18-29-22-10-11-24(34-4)31-25(22)26(23)36-19-20-8-6-5-7-9-20/h5-11,18,21H,12-17,19H2,1-4H3,(H,30,33)
• InChIKey: OFUJXUCIUGYBGP-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 95.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate (CID 66746573) is tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate is COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)c(OCc3ccccc3)c2n1.

What is the InChIKey of tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The InChIKey is OFUJXUCIUGYBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-28(2,3)37-27(33)30-21-12-14-32(15-13-21)16-17-35-23-18-29-22-10-11-24(34-4)31-25(22)26(23)36-19-20-8-6-5-7-9-20/h5-11,18,21H,12-17,19H2,1-4H3,(H,30,33).

What are the key properties of tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate?

tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate has a molecular weight of 508.62 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66746573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).