3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione

C23H24BrFN2O2 — CID 44581109

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)cc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H24BrFN2O2/c24-19-5-1-16(2-6-19)15-27-13-10-18(11-14-27)23(12-9-21(28)26-22(23)29)17-3-7-20(25)8-4-17/h1-8,18H,9-15H2,(H,26,28,29)
InChIKeyBUEUGBNZNPHBIF-UHFFFAOYSA-N
MW459.36 g/mol
LogP4.17
Rot. Bonds4

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione (PubChem CID 44581109) has the molecular formula C23H24BrFN2O2 and a molecular weight of 459.36 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione
PubChem CID44581109
Molecular FormulaC23H24BrFN2O2
Molecular Weight459.36 g/mol
Exact Mass458.10
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)cc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H24BrFN2O2/c24-19-5-1-16(2-6-19)15-27-13-10-18(11-14-27)23(12-9-21(28)26-22(23)29)17-3-7-20(25)8-4-17/h1-8,18H,9-15H2,(H,26,28,29)
InChIKeyBUEUGBNZNPHBIF-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione (CID 44581109) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione is O=C1CCC(c2ccc(F)cc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione?
The InChIKey is BUEUGBNZNPHBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrFN2O2/c24-19-5-1-16(2-6-19)15-27-13-10-18(11-14-27)23(12-9-21(28)26-22(23)29)17-3-7-20(25)8-4-17/h1-8,18H,9-15H2,(H,26,28,29).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione has a molecular weight of 459.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 44581109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).