2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C24H37ClN4O — CID 46234850

About 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 46234850) has the molecular formula C24H37ClN4O and a molecular weight of 433.04 g/mol. Its IUPAC name is 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
• PubChem CID: 46234850
• Molecular Formula: C24H37ClN4O
• Molecular Weight: 433.04 g/mol
• Exact Mass: 432.27
• IUPAC Name: 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
• SMILES: Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O.Cl
• InChI: InChI=1S/C24H36N4O.ClH/c1-18-16-20(26-14-7-21(17-26)27-13-3-4-19(27)2)5-6-22(18)28-15-10-24(23(28)29)8-11-25-12-9-24;/h5-6,16,19,21,25H,3-4,7-15,17H2,1-2H3;1H/t19-,21+;/m0./s1
• InChIKey: PHHHUWHEBGRSBR-LZAGWAHOSA-N
• XLogP: 3.59
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.04
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The IUPAC name of 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 46234850) is 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

What is the SMILES notation for 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The canonical SMILES for 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O.Cl.

What is the InChIKey of 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The InChIKey is PHHHUWHEBGRSBR-LZAGWAHOSA-N. The full InChI is InChI=1S/C24H36N4O.ClH/c1-18-16-20(26-14-7-21(17-26)27-13-3-4-19(27)2)5-6-22(18)28-15-10-24(23(28)29)8-11-25-12-9-24;/h5-6,16,19,21,25H,3-4,7-15,17H2,1-2H3;1H/t19-,21+;/m0./s1.

What are the key properties of 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 433.04 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 46234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).