1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione

C24H26FN3O3 — CID 69080506

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)CN1C(=O)CCC(c2ccccc2)C1=O
InChIInChI=1S/C24H26FN3O3/c25-19-6-8-20(9-7-19)27-14-12-26(13-15-27)16-21(29)17-28-23(30)11-10-22(24(28)31)18-4-2-1-3-5-18/h1-9,22H,10-17H2
InChIKeyBLORPGNAMKKRKH-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.45
Rot. Bonds6

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione (PubChem CID 69080506) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione
PubChem CID69080506
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)CN1C(=O)CCC(c2ccccc2)C1=O
InChIInChI=1S/C24H26FN3O3/c25-19-6-8-20(9-7-19)27-14-12-26(13-15-27)16-21(29)17-28-23(30)11-10-22(24(28)31)18-4-2-1-3-5-18/h1-9,22H,10-17H2
InChIKeyBLORPGNAMKKRKH-UHFFFAOYSA-N
XLogP2.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione (CID 69080506) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione is O=C(CN1CCN(c2ccc(F)cc2)CC1)CN1C(=O)CCC(c2ccccc2)C1=O.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione?
The InChIKey is BLORPGNAMKKRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-19-6-8-20(9-7-19)27-14-12-26(13-15-27)16-21(29)17-28-23(30)11-10-22(24(28)31)18-4-2-1-3-5-18/h1-9,22H,10-17H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione has a molecular weight of 423.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 69080506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).