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

C23H23BrF2N2O2 — CID 44593651

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)
InChIKeyBJFMBQBPMWUGFF-UHFFFAOYSA-N
MW477.35 g/mol
LogP4.31
Rot. Bonds4

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

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione (PubChem CID 44593651) has the molecular formula C23H23BrF2N2O2 and a molecular weight of 477.35 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
PubChem CID44593651
Molecular FormulaC23H23BrF2N2O2
Molecular Weight477.35 g/mol
Exact Mass476.09
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)
InChIKeyBJFMBQBPMWUGFF-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 54.31
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-(2,4-difluorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione (CID 44593651) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione is O=C1CCC(c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
The InChIKey is BJFMBQBPMWUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione has a molecular weight of 477.35 g/mol, XLogP of 4.31, 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-(2,4-difluorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 44593651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).