benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C26H40N4O2 — CID 165121942

About benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 165121942) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 165121942
• Molecular Formula: C26H40N4O2
• Molecular Weight: 440.63 g/mol
• Exact Mass: 440.32
• IUPAC Name: benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: CNCCC(=O)O.c1cc2c(nc1CCCN1CCCCC1)NCCC2.c1ccccc1
• InChI: InChI=1S/C16H25N3.C6H6.C4H9NO2/c1-2-11-19(12-3-1)13-5-7-15-9-8-14-6-4-10-17-16(14)18-15;1-2-4-6-5-3-1;1-5-3-2-4(6)7/h8-9H,1-7,10-13H2,(H,17,18);1-6H;5H,2-3H2,1H3,(H,6,7)
• InChIKey: HVVMSRIPPXZPTE-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 77.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.63
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 165121942) is benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is CNCCC(=O)O.c1cc2c(nc1CCCN1CCCCC1)NCCC2.c1ccccc1.

What is the InChIKey of benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is HVVMSRIPPXZPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.C6H6.C4H9NO2/c1-2-11-19(12-3-1)13-5-7-15-9-8-14-6-4-10-17-16(14)18-15;1-2-4-6-5-3-1;1-5-3-2-4(6)7/h8-9H,1-7,10-13H2,(H,17,18);1-6H;5H,2-3H2,1H3,(H,6,7).

What are the key properties of benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 440.63 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 165121942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).