4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione

C15H12BrNO2S — CID 79320189

IUPAC4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)cs2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C15H12BrNO2S/c16-10-6-12(20-8-10)11-7-13(18)17-15(19)14(11)9-4-2-1-3-5-9/h1-6,8,11,14H,7H2,(H,17,18,19)
InChIKeyKVMHGWHWRMDTOV-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.42
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione

4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione (PubChem CID 79320189) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
PubChem CID79320189
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)cs2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C15H12BrNO2S/c16-10-6-12(20-8-10)11-7-13(18)17-15(19)14(11)9-4-2-1-3-5-9/h1-6,8,11,14H,7H2,(H,17,18,19)
InChIKeyKVMHGWHWRMDTOV-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione
CID 79310312
4-(4-bromothiophen-2-yl)piperidine-2,6-dione
CID 63156130
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione
CID 79433782
3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
CID 79454422
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
CID 79431517
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79318174
3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
CID 79429891
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The IUPAC name of 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione (CID 79320189) is 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione is O=C1CC(c2cc(Br)cs2)C(c2ccccc2)C(=O)N1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The InChIKey is KVMHGWHWRMDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c16-10-6-12(20-8-10)11-7-13(18)17-15(19)14(11)9-4-2-1-3-5-9/h1-6,8,11,14H,7H2,(H,17,18,19).
What are the key properties of 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione?
4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione has a molecular weight of 350.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 79320189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).