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

C25H34F4N4O3 — CID 11168235

IUPAC3-(cyclobutylamino)-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)C1NC1CCC1
InChIInChI=1S/C25H34F4N4O3/c1-17-21(30-18-6-4-7-18)23(35)33(22(17)34)11-5-10-31-12-14-32(15-13-31)19-8-2-3-9-20(19)36-16-25(28,29)24(26)27/h2-3,8-9,17-18,21,24,30H,4-7,10-16H2,1H3
InChIKeyWIDYUJXXDVXZEN-UHFFFAOYSA-N
MW514.56 g/mol
LogP2.99
Rot. Bonds11

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

3-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 11168235) has the molecular formula C25H34F4N4O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is 3-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID11168235
Molecular FormulaC25H34F4N4O3
Molecular Weight514.56 g/mol
Exact Mass514.26
IUPAC Name3-(cyclobutylamino)-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)C1NC1CCC1
InChIInChI=1S/C25H34F4N4O3/c1-17-21(30-18-6-4-7-18)23(35)33(22(17)34)11-5-10-31-12-14-32(15-13-31)19-8-2-3-9-20(19)36-16-25(28,29)24(26)27/h2-3,8-9,17-18,21,24,30H,4-7,10-16H2,1H3
InChIKeyWIDYUJXXDVXZEN-UHFFFAOYSA-N
XLogP2.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 52.99
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-(cyclobutylamino)-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-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 11168235) is 3-(cyclobutylamino)-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-(cyclobutylamino)-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-(cyclobutylamino)-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)C1NC1CCC1.
What is the InChIKey of 3-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is WIDYUJXXDVXZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F4N4O3/c1-17-21(30-18-6-4-7-18)23(35)33(22(17)34)11-5-10-31-12-14-32(15-13-31)19-8-2-3-9-20(19)36-16-25(28,29)24(26)27/h2-3,8-9,17-18,21,24,30H,4-7,10-16H2,1H3.
What are the key properties of 3-(cyclobutylamino)-4-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(cyclobutylamino)-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 514.56 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylamino)-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 11168235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).