4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione

C12H12ClNO2 — CID 63156120

IUPAC4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2cccc(Cl)c2)CC(=O)NC(=O)C1
InChIInChI=1S/C12H12ClNO2/c1-12(6-10(15)14-11(16)7-12)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,15,16)
InChIKeyZHNWSXXHTPOJHC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.03
Rot. Bonds1

About 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione

4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione (PubChem CID 63156120) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione
PubChem CID63156120
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2cccc(Cl)c2)CC(=O)NC(=O)C1
InChIInChI=1S/C12H12ClNO2/c1-12(6-10(15)14-11(16)7-12)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,15,16)
InChIKeyZHNWSXXHTPOJHC-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.03
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-chlorophenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione (CID 63156120) is 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione is CC1(c2cccc(Cl)c2)CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is ZHNWSXXHTPOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-12(6-10(15)14-11(16)7-12)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione?
4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 237.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 63156120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).