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

C24H27BrN2O2 — CID 44580823

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O
InChIInChI=1S/C24H27BrN2O2/c1-26-22(28)11-14-24(23(26)29,19-5-3-2-4-6-19)20-12-15-27(16-13-20)17-18-7-9-21(25)10-8-18/h2-10,20H,11-17H2,1H3
InChIKeyMHGJZCNJQULIDE-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.38
Rot. Bonds4

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

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione (PubChem CID 44580823) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione
PubChem CID44580823
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O
InChIInChI=1S/C24H27BrN2O2/c1-26-22(28)11-14-24(23(26)29,19-5-3-2-4-6-19)20-12-15-27(16-13-20)17-18-7-9-21(25)10-8-18/h2-10,20H,11-17H2,1H3
InChIKeyMHGJZCNJQULIDE-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
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]-1-methyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione (CID 44580823) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione is CN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione?
The InChIKey is MHGJZCNJQULIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c1-26-22(28)11-14-24(23(26)29,19-5-3-2-4-6-19)20-12-15-27(16-13-20)17-18-7-9-21(25)10-8-18/h2-10,20H,11-17H2,1H3.
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-methyl-3-phenylpiperidine-2,6-dione has a molecular weight of 455.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 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]-1-methyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 44580823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).