4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide

C18H28N4O3 — CID 128737031

About 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide

4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide (PubChem CID 128737031) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide
• PubChem CID: 128737031
• Molecular Formula: C18H28N4O3
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.22
• IUPAC Name: 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide
• SMILES: Cn1cc([C@@H]2OCC[C@H]2CNC(=O)N2CCC(O)C23CCCC3)cn1
• InChI: InChI=1S/C18H28N4O3/c1-21-12-14(11-20-21)16-13(5-9-25-16)10-19-17(24)22-8-4-15(23)18(22)6-2-3-7-18/h11-13,15-16,23H,2-10H2,1H3,(H,19,24)/t13-,15?,16+/m0/s1
• InChIKey: COUMMAOCHGLPMF-ZNZOUBGRSA-N
• XLogP: 1.59
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide?

The IUPAC name of 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide (CID 128737031) is 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide.

What is the SMILES notation for 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide?

The canonical SMILES for 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide is Cn1cc([C@@H]2OCC[C@H]2CNC(=O)N2CCC(O)C23CCCC3)cn1.

What is the InChIKey of 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide?

The InChIKey is COUMMAOCHGLPMF-ZNZOUBGRSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21-12-14(11-20-21)16-13(5-9-25-16)10-19-17(24)22-8-4-15(23)18(22)6-2-3-7-18/h11-13,15-16,23H,2-10H2,1H3,(H,19,24)/t13-,15?,16+/m0/s1.

What are the key properties of 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide?

4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-azaspiro[4.4]nonane-1-carboxamide is sourced from PubChem (CID 128737031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).