2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C25H31N3O4 — CID 91924936

About 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924936) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 91924936
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: COc1ccc(CCC(=O)N2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)cc1
• InChI: InChI=1S/C25H31N3O4/c1-31-21-5-2-19(3-6-21)4-7-23(29)28-17-22(25(18-28)10-14-32-15-11-25)24(30)27-16-20-8-12-26-13-9-20/h2-3,5-6,8-9,12-13,22H,4,7,10-11,14-18H2,1H3,(H,27,30)
• InChIKey: BXZNXTIUEUYTKD-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924936) is 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is COc1ccc(CCC(=O)N2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)cc1.

What is the InChIKey of 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is BXZNXTIUEUYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-21-5-2-19(3-6-21)4-7-23(29)28-17-22(25(18-28)10-14-32-15-11-25)24(30)27-16-20-8-12-26-13-9-20/h2-3,5-6,8-9,12-13,22H,4,7,10-11,14-18H2,1H3,(H,27,30).

What are the key properties of 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).