3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione

C17H22BrNO2 — CID 80558885

IUPAC3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)NC(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H22BrNO2/c1-3-4-5-10-17(2)11-14(20)19-16(21)15(17)12-6-8-13(18)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyPJVQIKYZNLBXRZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione

3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione (PubChem CID 80558885) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
PubChem CID80558885
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)NC(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H22BrNO2/c1-3-4-5-10-17(2)11-14(20)19-16(21)15(17)12-6-8-13(18)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyPJVQIKYZNLBXRZ-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione?
The IUPAC name of 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione (CID 80558885) is 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione is CCCCCC1(C)CC(=O)NC(=O)C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione?
The InChIKey is PJVQIKYZNLBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-3-4-5-10-17(2)11-14(20)19-16(21)15(17)12-6-8-13(18)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione?
3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione has a molecular weight of 352.27 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione is sourced from PubChem (CID 80558885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).