2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one

C19H27ClN2O2 — CID 70783678

About 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70783678) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 70783678
• Molecular Formula: C19H27ClN2O2
• Molecular Weight: 350.89 g/mol
• Exact Mass: 350.18
• IUPAC Name: 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: C[C@H](CO)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C19H27ClN2O2/c1-15(13-23)11-21-8-6-19(7-9-21)10-18(24)22(14-19)12-16-2-4-17(20)5-3-16/h2-5,15,23H,6-14H2,1H3/t15-/m0/s1
• InChIKey: MZQDVXXSMDIYND-HNNXBMFYSA-N
• XLogP: 2.78
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.89
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70783678) is 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one is C[C@H](CO)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.

What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is MZQDVXXSMDIYND-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-15(13-23)11-21-8-6-19(7-9-21)10-18(24)22(14-19)12-16-2-4-17(20)5-3-16/h2-5,15,23H,6-14H2,1H3/t15-/m0/s1.

What are the key properties of 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one?

2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 350.89 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70783678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).