4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione

C14H15Cl2NO2 — CID 79320854

IUPAC4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO2/c1-7(2)13-9(6-12(18)17-14(13)19)8-3-4-10(15)11(16)5-8/h3-5,7,9,13H,6H2,1-2H3,(H,17,18,19)
InChIKeyCPDWBIGTHLURKT-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.40
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320854) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320854
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO2/c1-7(2)13-9(6-12(18)17-14(13)19)8-3-4-10(15)11(16)5-8/h3-5,7,9,13H,6H2,1-2H3,(H,17,18,19)
InChIKeyCPDWBIGTHLURKT-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79320854) is 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is CPDWBIGTHLURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-7(2)13-9(6-12(18)17-14(13)19)8-3-4-10(15)11(16)5-8/h3-5,7,9,13H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 300.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).