2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

C19H27Cl2N3O3 — CID 154897310

About 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 154897310) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• PubChem CID: 154897310
• Molecular Formula: C19H27Cl2N3O3
• Molecular Weight: 416.35 g/mol
• Exact Mass: 415.14
• IUPAC Name: 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
• SMILES: CN[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.Cl
• InChI: InChI=1S/C19H26ClN3O3.ClH/c1-21-16(12-24)18(26)22-8-6-19(7-9-22)10-17(25)23(13-19)11-14-2-4-15(20)5-3-14;/h2-5,16,21,24H,6-13H2,1H3;1H/t16-;/m0./s1
• InChIKey: NXHYYTBRWUJLDB-NTISSMGPSA-N
• XLogP: 1.68
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.35
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 154897310) is 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is CN[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.Cl.

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

The InChIKey is NXHYYTBRWUJLDB-NTISSMGPSA-N. The full InChI is InChI=1S/C19H26ClN3O3.ClH/c1-21-16(12-24)18(26)22-8-6-19(7-9-22)10-17(25)23(13-19)11-14-2-4-15(20)5-3-14;/h2-5,16,21,24H,6-13H2,1H3;1H/t16-;/m0./s1.

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

2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 154897310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).