3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride

C25H35ClF4N4O3 — CID 87832863

About 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride

3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 87832863) has the molecular formula C25H35ClF4N4O3 and a molecular weight of 551.03 g/mol. Its IUPAC name is 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
• PubChem CID: 87832863
• Molecular Formula: C25H35ClF4N4O3
• Molecular Weight: 551.03 g/mol
• Exact Mass: 550.23
• IUPAC Name: 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
• SMILES: CC1(NC2CCC2)CC(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)C(F)F)CC2)C1=O.Cl
• InChI: InChI=1S/C25H34F4N4O3.ClH/c1-24(30-18-6-4-7-18)16-21(34)33(23(24)35)11-5-10-31-12-14-32(15-13-31)19-8-2-3-9-20(19)36-17-25(28,29)22(26)27;/h2-3,8-9,18,22,30H,4-7,10-17H2,1H3;1H
• InChIKey: DKINWAUIQIZOOG-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.03
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The IUPAC name of 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride (CID 87832863) is 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride.

What is the SMILES notation for 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The canonical SMILES for 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride is CC1(NC2CCC2)CC(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)C(F)F)CC2)C1=O.Cl.

What is the InChIKey of 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The InChIKey is DKINWAUIQIZOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F4N4O3.ClH/c1-24(30-18-6-4-7-18)16-21(34)33(23(24)35)11-5-10-31-12-14-32(15-13-31)19-8-2-3-9-20(19)36-17-25(28,29)22(26)27;/h2-3,8-9,18,22,30H,4-7,10-17H2,1H3;1H.

What are the key properties of 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 551.03 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 87832863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).