lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate

C42H65LiN6O10 — CID 159024304

About lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate

lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate (PubChem CID 159024304) has the molecular formula C42H65LiN6O10 and a molecular weight of 820.95 g/mol. Its IUPAC name is lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate
• PubChem CID: 159024304
• Molecular Formula: C42H65LiN6O10
• Molecular Weight: 820.95 g/mol
• Exact Mass: 820.49
• IUPAC Name: lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate
• SMILES: CCOC(=O)CC1(O)CCN(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.O.O=C(O)CC1(O)CCN(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.[Li+].[OH-]
• InChI: InChI=1S/C22H33N3O4.C20H29N3O4.Li.2H2O/c1-2-29-20(27)16-22(28)11-14-25(15-12-22)19(26)8-4-3-7-18-10-9-17-6-5-13-23-21(17)24-18;24-17(23-12-9-20(27,10-13-23)14-18(25)26)6-2-1-5-16-8-7-15-4-3-11-21-19(15)22-16;;;/h9-10,28H,2-8,11-16H2,1H3,(H,23,24);7-8,27H,1-6,9-14H2,(H,21,22)(H,25,26);;2*1H2/q;;+1;;/p-1
• InChIKey: HQCOLQWAPTZHCA-UHFFFAOYSA-M
• XLogP: 0.44
• TPSA: 256.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.95
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate?

The IUPAC name of lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate (CID 159024304) is lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate.

What is the SMILES notation for lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate?

The canonical SMILES for lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate is CCOC(=O)CC1(O)CCN(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.O.O=C(O)CC1(O)CCN(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.[Li+].[OH-].

What is the InChIKey of lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate?

The InChIKey is HQCOLQWAPTZHCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H33N3O4.C20H29N3O4.Li.2H2O/c1-2-29-20(27)16-22(28)11-14-25(15-12-22)19(26)8-4-3-7-18-10-9-17-6-5-13-23-21(17)24-18;24-17(23-12-9-20(27,10-13-23)14-18(25)26)6-2-1-5-16-8-7-15-4-3-11-21-19(15)22-16;;;/h9-10,28H,2-8,11-16H2,1H3,(H,23,24);7-8,27H,1-6,9-14H2,(H,21,22)(H,25,26);;2*1H2/q;;+1;;/p-1.

What are the key properties of lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate?

lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate has a molecular weight of 820.95 g/mol, XLogP of 0.44, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate is sourced from PubChem (CID 159024304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).