8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C28H43ClN4O3 — CID 68625901

About 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 68625901) has the molecular formula C28H43ClN4O3 and a molecular weight of 519.13 g/mol. Its IUPAC name is 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
• PubChem CID: 68625901
• Molecular Formula: C28H43ClN4O3
• Molecular Weight: 519.13 g/mol
• Exact Mass: 518.30
• IUPAC Name: 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
• SMILES: CC(C)N1C(=O)N(C)C(=O)C12CCN(C(C(=O)CC(C)(C)C)[C@@H]1CNC[C@@H]1c1ccccc1)CC2.Cl
• InChI: InChI=1S/C28H42N4O3.ClH/c1-19(2)32-26(35)30(6)25(34)28(32)12-14-31(15-13-28)24(23(33)16-27(3,4)5)22-18-29-17-21(22)20-10-8-7-9-11-20;/h7-11,19,21-22,24,29H,12-18H2,1-6H3;1H/t21-,22-,24?;/m1./s1
• InChIKey: KCIXEOWPUWOFNW-WLSOEIEDSA-N
• XLogP: 3.92
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.13
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?

The IUPAC name of 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 68625901) is 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

What is the SMILES notation for 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?

The canonical SMILES for 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is CC(C)N1C(=O)N(C)C(=O)C12CCN(C(C(=O)CC(C)(C)C)[C@@H]1CNC[C@@H]1c1ccccc1)CC2.Cl.

What is the InChIKey of 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?

The InChIKey is KCIXEOWPUWOFNW-WLSOEIEDSA-N. The full InChI is InChI=1S/C28H42N4O3.ClH/c1-19(2)32-26(35)30(6)25(34)28(32)12-14-31(15-13-28)24(23(33)16-27(3,4)5)22-18-29-17-21(22)20-10-8-7-9-11-20;/h7-11,19,21-22,24,29H,12-18H2,1-6H3;1H/t21-,22-,24?;/m1./s1.

What are the key properties of 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?

8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 519.13 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4,4-dimethyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]pentyl]-3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 68625901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).