8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

C21H30ClF2N3O2 — CID 154899239

About 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 154899239) has the molecular formula C21H30ClF2N3O2 and a molecular weight of 429.94 g/mol. Its IUPAC name is 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

• Compound Name: 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• PubChem CID: 154899239
• Molecular Formula: C21H30ClF2N3O2
• Molecular Weight: 429.94 g/mol
• Exact Mass: 429.20
• IUPAC Name: 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• SMILES: CCCC[C@H](N)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.Cl
• InChI: InChI=1S/C21H29F2N3O2.ClH/c1-2-3-4-18(24)20(28)25-7-5-21(6-8-25)12-19(27)26(14-21)13-15-9-16(22)11-17(23)10-15;/h9-11,18H,2-8,12-14,24H2,1H3;1H/t18-;/m0./s1
• InChIKey: RNJZXXWUDAMTNA-FERBBOLQSA-N
• XLogP: 3.25
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.94
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The IUPAC name of 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 154899239) is 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

What is the SMILES notation for 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The canonical SMILES for 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is CCCC[C@H](N)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.Cl.

What is the InChIKey of 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

The InChIKey is RNJZXXWUDAMTNA-FERBBOLQSA-N. The full InChI is InChI=1S/C21H29F2N3O2.ClH/c1-2-3-4-18(24)20(28)25-7-5-21(6-8-25)12-19(27)26(14-21)13-15-9-16(22)11-17(23)10-15;/h9-11,18H,2-8,12-14,24H2,1H3;1H/t18-;/m0./s1.

What are the key properties of 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?

8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 429.94 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 154899239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).