formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C23H33N3O7 — CID 172910232

About formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172910232) has the molecular formula C23H33N3O7 and a molecular weight of 463.53 g/mol. Its IUPAC name is formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• PubChem CID: 172910232
• Molecular Formula: C23H33N3O7
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.23
• IUPAC Name: formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• SMILES: COc1cnc(C)cc1C(=O)N1CCC2(CC1)CC(CN1CCC(O)CC1)OC2=O.O=CO
• InChI: InChI=1S/C22H31N3O5.CH2O2/c1-15-11-18(19(29-2)13-23-15)20(27)25-9-5-22(6-10-25)12-17(30-21(22)28)14-24-7-3-16(26)4-8-24;2-1-3/h11,13,16-17,26H,3-10,12,14H2,1-2H3;1H,(H,2,3)
• InChIKey: JJVZCIXMUAGLTO-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 129.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The IUPAC name of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172910232) is formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

What is the SMILES notation for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The canonical SMILES for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is COc1cnc(C)cc1C(=O)N1CCC2(CC1)CC(CN1CCC(O)CC1)OC2=O.O=CO.

What is the InChIKey of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The InChIKey is JJVZCIXMUAGLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5.CH2O2/c1-15-11-18(19(29-2)13-23-15)20(27)25-9-5-22(6-10-25)12-17(30-21(22)28)14-24-7-3-16(26)4-8-24;2-1-3/h11,13,16-17,26H,3-10,12,14H2,1-2H3;1H,(H,2,3).

What are the key properties of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 463.53 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).