2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one

C21H32N2O2 — CID 45226995

About 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one

2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 45226995) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
• PubChem CID: 45226995
• Molecular Formula: C21H32N2O2
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.25
• IUPAC Name: 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
• SMILES: CC(C)(O)C(=O)N1CCC2(CCCN(CCCc3ccccc3)C2)C1
• InChI: InChI=1S/C21H32N2O2/c1-20(2,25)19(24)23-15-12-21(17-23)11-7-14-22(16-21)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,25H,6-7,10-17H2,1-2H3
• InChIKey: JGUWMQFWGYPLON-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?

The IUPAC name of 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one (CID 45226995) is 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one.

What is the SMILES notation for 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?

The canonical SMILES for 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one is CC(C)(O)C(=O)N1CCC2(CCCN(CCCc3ccccc3)C2)C1.

What is the InChIKey of 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?

The InChIKey is JGUWMQFWGYPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-20(2,25)19(24)23-15-12-21(17-23)11-7-14-22(16-21)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,25H,6-7,10-17H2,1-2H3.

What are the key properties of 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?

2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 45226995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).