2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione

C24H26N2O3 — CID 46679856

IUPAC2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1
InChIInChI=1S/C24H26N2O3/c1-16-3-5-17(6-4-16)7-8-18-11-13-26(14-12-18)22(27)19-9-10-20-21(15-19)24(29)25(2)23(20)28/h3-6,9-10,15,18H,7-8,11-14H2,1-2H3
InChIKeySYGTWYUXFHSJCH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione

2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione (PubChem CID 46679856) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
PubChem CID46679856
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1
InChIInChI=1S/C24H26N2O3/c1-16-3-5-17(6-4-16)7-8-18-11-13-26(14-12-18)22(27)19-9-10-20-21(15-19)24(29)25(2)23(20)28/h3-6,9-10,15,18H,7-8,11-14H2,1-2H3
InChIKeySYGTWYUXFHSJCH-UHFFFAOYSA-N
XLogP3.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.71
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

5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
2-ethyl-6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 60527132
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
(3,5-dinitrophenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608433
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 46669710
N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 24571460
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608437
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione (CID 46679856) is 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione is Cc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1.
What is the InChIKey of 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is SYGTWYUXFHSJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-3-5-17(6-4-16)7-8-18-11-13-26(14-12-18)22(27)19-9-10-20-21(15-19)24(29)25(2)23(20)28/h3-6,9-10,15,18H,7-8,11-14H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione?
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 390.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 46679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).