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

C23H24BrClN2O2 — CID 44581136

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(Cl)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H24BrClN2O2/c24-19-6-4-16(5-7-19)15-27-12-9-17(10-13-27)23(11-8-21(28)26-22(23)29)18-2-1-3-20(25)14-18/h1-7,14,17H,8-13,15H2,(H,26,28,29)
InChIKeyYUNPCQWVQPGUQN-UHFFFAOYSA-N
MW475.81 g/mol
LogP4.69
Rot. Bonds4

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

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione (PubChem CID 44581136) has the molecular formula C23H24BrClN2O2 and a molecular weight of 475.81 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione
PubChem CID44581136
Molecular FormulaC23H24BrClN2O2
Molecular Weight475.81 g/mol
Exact Mass474.07
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(Cl)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H24BrClN2O2/c24-19-6-4-16(5-7-19)15-27-12-9-17(10-13-27)23(11-8-21(28)26-22(23)29)18-2-1-3-20(25)14-18/h1-7,14,17H,8-13,15H2,(H,26,28,29)
InChIKeyYUNPCQWVQPGUQN-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.81
LogP ≤ 54.69
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-(3-chlorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione (CID 44581136) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione is O=C1CCC(c2cccc(Cl)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione?
The InChIKey is YUNPCQWVQPGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN2O2/c24-19-6-4-16(5-7-19)15-27-12-9-17(10-13-27)23(11-8-21(28)26-22(23)29)18-2-1-3-20(25)14-18/h1-7,14,17H,8-13,15H2,(H,26,28,29).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione has a molecular weight of 475.81 g/mol, XLogP of 4.69, 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-(3-chlorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 44581136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).