3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid

C26H35N3O3 — CID 174204346

About 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid

3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid (PubChem CID 174204346) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid
• PubChem CID: 174204346
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid
• SMILES: O=C(O)CC(OC[C@@H]1CCCN(CCCc2ccc3c(n2)NCCC3)C1)c1ccccc1
• InChI: InChI=1S/C26H35N3O3/c30-25(31)17-24(21-8-2-1-3-9-21)32-19-20-7-5-15-29(18-20)16-6-11-23-13-12-22-10-4-14-27-26(22)28-23/h1-3,8-9,12-13,20,24H,4-7,10-11,14-19H2,(H,27,28)(H,30,31)/t20-,24?/m1/s1
• InChIKey: BRKLBCBJTYTENH-CGHJUBPDSA-N
• XLogP: 4.32
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid?

The IUPAC name of 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid (CID 174204346) is 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid.

What is the SMILES notation for 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid?

The canonical SMILES for 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid is O=C(O)CC(OC[C@@H]1CCCN(CCCc2ccc3c(n2)NCCC3)C1)c1ccccc1.

What is the InChIKey of 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid?

The InChIKey is BRKLBCBJTYTENH-CGHJUBPDSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-25(31)17-24(21-8-2-1-3-9-21)32-19-20-7-5-15-29(18-20)16-6-11-23-13-12-22-10-4-14-27-26(22)28-23/h1-3,8-9,12-13,20,24H,4-7,10-11,14-19H2,(H,27,28)(H,30,31)/t20-,24?/m1/s1.

What are the key properties of 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid?

3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid has a molecular weight of 437.58 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-yl]methoxy]propanoic acid is sourced from PubChem (CID 174204346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).