3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C16H26N6O3 — CID 122569770

About 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 122569770) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 122569770
• Molecular Formula: C16H26N6O3
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.21
• IUPAC Name: 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CC(C)C(NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ncnn1C
• InChI: InChI=1S/C16H26N6O3/c1-11(2)12(13-17-10-18-21(13)4)19-14(23)22-7-5-16(6-8-22)9-20(3)15(24)25-16/h10-12H,5-9H2,1-4H3,(H,19,23)
• InChIKey: UERDNCHAYUCFHB-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 122569770) is 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)C(NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ncnn1C.

What is the InChIKey of 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is UERDNCHAYUCFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-11(2)12(13-17-10-18-21(13)4)19-14(23)22-7-5-16(6-8-22)9-20(3)15(24)25-16/h10-12H,5-9H2,1-4H3,(H,19,23).

What are the key properties of 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 122569770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).