1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione

C14H16BrNO2 — CID 65014543

IUPAC1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CC(CBr)c1ccccc1
InChIInChI=1S/C14H16BrNO2/c15-9-12(11-5-2-1-3-6-11)10-16-13(17)7-4-8-14(16)18/h1-3,5-6,12H,4,7-10H2
InChIKeyQOSWQLQXKKEYTE-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione

1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione (PubChem CID 65014543) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
PubChem CID65014543
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CC(CBr)c1ccccc1
InChIInChI=1S/C14H16BrNO2/c15-9-12(11-5-2-1-3-6-11)10-16-13(17)7-4-8-14(16)18/h1-3,5-6,12H,4,7-10H2
InChIKeyQOSWQLQXKKEYTE-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-phenylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 65014705
3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65014536
1-(3-bromo-2-phenylpropyl)-4-ethylpiperazine-2,5-dione
CID 79936907
1-(3-bromo-2-phenylpropyl)-5-propan-2-ylazepan-2-one
CID 65014455
2-(3-bromo-2-phenylpropyl)-3,4-dihydroisoquinolin-1-one
CID 65014309
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651
8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
CID 65015412
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione (CID 65014543) is 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CC(CBr)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione?
The InChIKey is QOSWQLQXKKEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-9-12(11-5-2-1-3-6-11)10-16-13(17)7-4-8-14(16)18/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione?
1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione has a molecular weight of 310.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 65014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).