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

C14H14ClNO3 — CID 79506256

IUPAC1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C14H14ClNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyCJEIBEFMPRXVDI-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.31
Rot. Bonds3

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

1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (PubChem CID 79506256) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
PubChem CID79506256
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C14H14ClNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyCJEIBEFMPRXVDI-UHFFFAOYSA-N
XLogP2.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505964
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659
1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62332508
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023423
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023455
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501218
1-[4-(4-bromophenyl)-4-oxobutyl]-4-methylpiperidine-2,6-dione
CID 79497216
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505869
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (CID 79506256) is 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(CC(=O)c2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is CJEIBEFMPRXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 279.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79506256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).