1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H36N4O4 — CID 26230801

About 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26230801) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26230801
• Molecular Formula: C26H36N4O4
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.27
• IUPAC Name: 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2
• InChI: InChI=1S/C26H36N4O4/c1-20(23-9-8-21(2)34-23)10-15-28-16-11-26(12-17-28)24(31)29(19-22-7-4-5-13-27-22)25(32)30(26)14-6-18-33-3/h4-5,7-9,13,20H,6,10-12,14-19H2,1-3H3/t20-/m1/s1
• InChIKey: CSBJLAJZTYHNDY-HXUWFJFHSA-N
• XLogP: 3.81
• TPSA: 79.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26230801) is 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2.

What is the InChIKey of 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is CSBJLAJZTYHNDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-20(23-9-8-21(2)34-23)10-15-28-16-11-26(12-17-28)24(31)29(19-22-7-4-5-13-27-22)25(32)30(26)14-6-18-33-3/h4-5,7-9,13,20H,6,10-12,14-19H2,1-3H3/t20-/m1/s1.

What are the key properties of 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 468.60 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26230801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).