3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione

C13H14ClNO2 — CID 14531166

IUPAC3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyLPQSKABMRGFSSZ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.28
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione

3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione (PubChem CID 14531166) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione
PubChem CID14531166
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyLPQSKABMRGFSSZ-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Chlorophenyl)piperidine-2,6-dione
CID 2727728
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
Glutarimide, 2-(p-chlorobenzyl)-
CID 212772
Glutarimide, N-methyl-3-phenyl-
CID 3043001
(1-But-3-enoylpiperidin-3-yl)(4-chlorophenyl)methanone
CID 23723418
1-[1-(4-Chlorophenyl)cyclopropanecarbonyl]piperidine
CID 60643392
5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
CID 12012177
2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N,N-dimethyl-acetamide
CID 11471946
2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 11482918
[(S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44332728

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione (CID 14531166) is 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione?
The InChIKey is LPQSKABMRGFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione?
3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione has a molecular weight of 251.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 14531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).