4-chloro-3-methylpiperidine-2,6-dione

C6H8ClNO2 — CID 169307302

IUPAC4-chloro-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1Cl
InChIInChI=1S/C6H8ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyRNVYJVABBVRKFW-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.28
Rot. Bonds

About 4-chloro-3-methylpiperidine-2,6-dione

4-chloro-3-methylpiperidine-2,6-dione (PubChem CID 169307302) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 4-chloro-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-chloro-3-methylpiperidine-2,6-dione
PubChem CID169307302
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name4-chloro-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1Cl
InChIInChI=1S/C6H8ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyRNVYJVABBVRKFW-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpiperidine-2,6-dione?
The IUPAC name of 4-chloro-3-methylpiperidine-2,6-dione (CID 169307302) is 4-chloro-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-chloro-3-methylpiperidine-2,6-dione?
The canonical SMILES for 4-chloro-3-methylpiperidine-2,6-dione is CC1C(=O)NC(=O)CC1Cl.
What is the InChIKey of 4-chloro-3-methylpiperidine-2,6-dione?
The InChIKey is RNVYJVABBVRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 4-chloro-3-methylpiperidine-2,6-dione?
4-chloro-3-methylpiperidine-2,6-dione has a molecular weight of 161.59 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 169307302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).