2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

C21H30FN3O2 — CID 124948028

About 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 124948028) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 124948028
• Molecular Formula: C21H30FN3O2
• Molecular Weight: 375.49 g/mol
• Exact Mass: 375.23
• IUPAC Name: 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• SMILES: CC(C)CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@@H]1Cc1cccc(F)c1
• InChI: InChI=1S/C21H30FN3O2/c1-15(2)13-25-18(11-16-4-3-5-17(22)10-16)12-21(20(25)27)6-8-24(9-7-21)14-19(23)26/h3-5,10,15,18H,6-9,11-14H2,1-2H3,(H2,23,26)/t18-/m0/s1
• InChIKey: CJXCSTVMNYWOBI-SFHVURJKSA-N
• XLogP: 2.19
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.49
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 124948028) is 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is CC(C)CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@@H]1Cc1cccc(F)c1.

What is the InChIKey of 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is CJXCSTVMNYWOBI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-15(2)13-25-18(11-16-4-3-5-17(22)10-16)12-21(20(25)27)6-8-24(9-7-21)14-19(23)26/h3-5,10,15,18H,6-9,11-14H2,1-2H3,(H2,23,26)/t18-/m0/s1.

What are the key properties of 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 124948028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).