2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione

C21H20N2O3 — CID 4266311

IUPAC2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-9-11-22(12-10-14)19(24)15-5-4-6-16(13-15)23-20(25)17-7-2-3-8-18(17)21(23)26/h2-8,13-14H,9-12H2,1H3
InChIKeyFGNLISWCNYVXTD-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.36
Rot. Bonds2

About 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione

2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 4266311) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID4266311
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-9-11-22(12-10-14)19(24)15-5-4-6-16(13-15)23-20(25)17-7-2-3-8-18(17)21(23)26/h2-8,13-14H,9-12H2,1H3
InChIKeyFGNLISWCNYVXTD-UHFFFAOYSA-N
XLogP3.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.36
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

(1R,2R,6S,7S)-4-[3-(4-methylpiperidine-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1217050
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 19295249
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2540577
(3-ethynylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170459136
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione (CID 4266311) is 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione is CC1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is FGNLISWCNYVXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-9-11-22(12-10-14)19(24)15-5-4-6-16(13-15)23-20(25)17-7-2-3-8-18(17)21(23)26/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 348.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 4266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).