1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione

C24H35FN4O3 — CID 69435913

IUPAC1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(F)cc1N1CCN(CCCC2CC2NN2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C24H35FN4O3/c1-16(2)32-22-7-6-19(25)15-21(22)28-11-9-27(10-12-28)8-4-5-18-14-20(18)26-29-23(30)13-17(3)24(29)31/h6-7,15-18,20,26H,4-5,8-14H2,1-3H3
InChIKeyLDTNGIDNLUDRAG-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.80
Rot. Bonds9

About 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione

1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione (PubChem CID 69435913) has the molecular formula C24H35FN4O3 and a molecular weight of 446.57 g/mol. Its IUPAC name is 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione
PubChem CID69435913
Molecular FormulaC24H35FN4O3
Molecular Weight446.57 g/mol
Exact Mass446.27
IUPAC Name1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(F)cc1N1CCN(CCCC2CC2NN2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C24H35FN4O3/c1-16(2)32-22-7-6-19(25)15-21(22)28-11-9-27(10-12-28)8-4-5-18-14-20(18)26-29-23(30)13-17(3)24(29)31/h6-7,15-18,20,26H,4-5,8-14H2,1-3H3
InChIKeyLDTNGIDNLUDRAG-UHFFFAOYSA-N
XLogP2.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69433853
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 11374596
5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;phosphoric acid
CID 69408563
[6-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl] dihydrogen phosphate
CID 15985598
but-2-enedioic acid;5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 69407712
2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3,5-triol
CID 91398766
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
CID 91322392
[6-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-5-yl] dihydrogen phosphate
CID 90687960
5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91028383
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-[(propan-2-ylamino)methyl]pyrrole-2,5-diol
CID 91490823

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione (CID 69435913) is 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione is CC(C)Oc1ccc(F)cc1N1CCN(CCCC2CC2NN2C(=O)CC(C)C2=O)CC1.
What is the InChIKey of 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione?
The InChIKey is LDTNGIDNLUDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O3/c1-16(2)32-22-7-6-19(25)15-21(22)28-11-9-27(10-12-28)8-4-5-18-14-20(18)26-29-23(30)13-17(3)24(29)31/h6-7,15-18,20,26H,4-5,8-14H2,1-3H3.
What are the key properties of 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione?
1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione has a molecular weight of 446.57 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]cyclopropyl]amino]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 69435913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).