benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate

C23H29N3O2 — CID 134514749

About benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate

benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate (PubChem CID 134514749) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate
• PubChem CID: 134514749
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate
• SMILES: O=C(OCc1ccccc1)C1CCN(CCc2ccc3c(n2)NCCC3)CC1
• InChI: InChI=1S/C23H29N3O2/c27-23(28-17-18-5-2-1-3-6-18)20-10-14-26(15-11-20)16-12-21-9-8-19-7-4-13-24-22(19)25-21/h1-3,5-6,8-9,20H,4,7,10-17H2,(H,24,25)
• InChIKey: UFWWMKPKVXPZQK-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate?

The IUPAC name of benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate (CID 134514749) is benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate.

What is the SMILES notation for benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate?

The canonical SMILES for benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate is O=C(OCc1ccccc1)C1CCN(CCc2ccc3c(n2)NCCC3)CC1.

What is the InChIKey of benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate?

The InChIKey is UFWWMKPKVXPZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(28-17-18-5-2-1-3-6-18)20-10-14-26(15-11-20)16-12-21-9-8-19-7-4-13-24-22(19)25-21/h1-3,5-6,8-9,20H,4,7,10-17H2,(H,24,25).

What are the key properties of benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate?

benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 134514749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).