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

C24H32F4N4O3 — CID 11477560

IUPAC3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)C(F)F)CC2)C(=O)C1NC1CC1
InChIInChI=1S/C24H32F4N4O3/c1-16-20(29-17-7-8-17)22(34)32(21(16)33)10-4-9-30-11-13-31(14-12-30)18-5-2-3-6-19(18)35-15-24(27,28)23(25)26/h2-3,5-6,16-17,20,23,29H,4,7-15H2,1H3
InChIKeyZJAJQMLTSOPINE-UHFFFAOYSA-N
MW500.54 g/mol
LogP2.60
Rot. Bonds11

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

3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 11477560) has the molecular formula C24H32F4N4O3 and a molecular weight of 500.54 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID11477560
Molecular FormulaC24H32F4N4O3
Molecular Weight500.54 g/mol
Exact Mass500.24
IUPAC Name3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)C(F)F)CC2)C(=O)C1NC1CC1
InChIInChI=1S/C24H32F4N4O3/c1-16-20(29-17-7-8-17)22(34)32(21(16)33)10-4-9-30-11-13-31(14-12-30)18-5-2-3-6-19(18)35-15-24(27,28)23(25)26/h2-3,5-6,16-17,20,23,29H,4,7-15H2,1H3
InChIKeyZJAJQMLTSOPINE-UHFFFAOYSA-N
XLogP2.60
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 11477560) is 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione is CC1C(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)C(F)F)CC2)C(=O)C1NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is ZJAJQMLTSOPINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F4N4O3/c1-16-20(29-17-7-8-17)22(34)32(21(16)33)10-4-9-30-11-13-31(14-12-30)18-5-2-3-6-19(18)35-15-24(27,28)23(25)26/h2-3,5-6,16-17,20,23,29H,4,7-15H2,1H3.
What are the key properties of 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 500.54 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11477560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).