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

C25H37FN4O3 — CID 11374596

IUPAC3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(N(C)C3CC3)C2=O)CC1
InChIInChI=1S/C25H37FN4O3/c1-17(2)33-22-9-6-19(26)16-21(22)29-14-12-28(13-15-29)10-5-11-30-24(31)18(3)23(25(30)32)27(4)20-7-8-20/h6,9,16-18,20,23H,5,7-8,10-15H2,1-4H3
InChIKeyKMUINJRXOIYCDN-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.59
Rot. Bonds9

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

3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione (PubChem CID 11374596) has the molecular formula C25H37FN4O3 and a molecular weight of 460.59 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
PubChem CID11374596
Molecular FormulaC25H37FN4O3
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC Name3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(N(C)C3CC3)C2=O)CC1
InChIInChI=1S/C25H37FN4O3/c1-17(2)33-22-9-6-19(26)16-21(22)29-14-12-28(13-15-29)10-5-11-30-24(31)18(3)23(25(30)32)27(4)20-7-8-20/h6,9,16-18,20,23H,5,7-8,10-15H2,1-4H3
InChIKeyKMUINJRXOIYCDN-UHFFFAOYSA-N
XLogP2.59
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione (CID 11374596) is 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione is CC(C)Oc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(N(C)C3CC3)C2=O)CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The InChIKey is KMUINJRXOIYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN4O3/c1-17(2)33-22-9-6-19(26)16-21(22)29-14-12-28(13-15-29)10-5-11-30-24(31)18(3)23(25(30)32)27(4)20-7-8-20/h6,9,16-18,20,23H,5,7-8,10-15H2,1-4H3.
What are the key properties of 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione has a molecular weight of 460.59 g/mol, XLogP of 2.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 11374596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).