2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione

C20H18N2O3 — CID 168519312

IUPAC2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCCCC1=O
InChIInChI=1S/C20H18N2O3/c1-13-12-14(9-10-17(13)21-11-5-4-8-18(21)23)22-19(24)15-6-2-3-7-16(15)20(22)25/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3
InChIKeyJJHWQGJKNYJIRN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.31
Rot. Bonds2

About 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione

2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 168519312) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione
PubChem CID168519312
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCCCC1=O
InChIInChI=1S/C20H18N2O3/c1-13-12-14(9-10-17(13)21-11-5-4-8-18(21)23)22-19(24)15-6-2-3-7-16(15)20(22)25/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3
InChIKeyJJHWQGJKNYJIRN-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.31
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-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
4-ethynyl-1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168501082
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonic acid
CID 168511809

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione (CID 168519312) is 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCCCC1=O.
What is the InChIKey of 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is JJHWQGJKNYJIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-12-14(9-10-17(13)21-11-5-4-8-18(21)23)22-19(24)15-6-2-3-7-16(15)20(22)25/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3.
What are the key properties of 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione?
2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 334.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).