2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione

C20H19ClN2O2 — CID 168516573

IUPAC2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCC1CCCCN1c1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19ClN2O2/c1-13-6-4-5-11-22(13)17-10-9-14(21)12-18(17)23-19(24)15-7-2-3-8-16(15)20(23)25/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyVJONMIZATMHOTF-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.52
Rot. Bonds2

About 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione

2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 168516573) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
PubChem CID168516573
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCC1CCCCN1c1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19ClN2O2/c1-13-6-4-5-11-22(13)17-10-9-14(21)12-18(17)23-19(24)15-7-2-3-8-16(15)20(23)25/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyVJONMIZATMHOTF-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.52
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

2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
CID 168517760
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
3-fluoro-4-(2-methylpiperidin-1-yl)benzaldehyde
CID 43200239
1-[5-chloro-2-(2-methylazepan-1-yl)phenyl]butan-2-amine
CID 114861727
4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327857

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione (CID 168516573) is 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione is CC1CCCCN1c1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is VJONMIZATMHOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-6-4-5-11-22(13)17-10-9-14(21)12-18(17)23-19(24)15-7-2-3-8-16(15)20(23)25/h2-3,7-10,12-13H,4-6,11H2,1H3.
What are the key properties of 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione?
2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 354.84 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).