ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate

C24H24N2O5 — CID 24980519

IUPACethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)CC1
InChIInChI=1S/C24H24N2O5/c1-3-31-24(30)16-10-12-25(13-11-16)21(27)17-8-9-18-19(14-17)23(29)26(22(18)28)20-7-5-4-6-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyFSFNQSPIOSPGIZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.21
Rot. Bonds4

About ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 24980519) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate
PubChem CID24980519
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)CC1
InChIInChI=1S/C24H24N2O5/c1-3-31-24(30)16-10-12-25(13-11-16)21(27)17-8-9-18-19(14-17)23(29)26(22(18)28)20-7-5-4-6-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyFSFNQSPIOSPGIZ-UHFFFAOYSA-N
XLogP3.21
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate (CID 24980519) is ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)CC1.
What is the InChIKey of ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is FSFNQSPIOSPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-31-24(30)16-10-12-25(13-11-16)21(27)17-8-9-18-19(14-17)23(29)26(22(18)28)20-7-5-4-6-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 24980519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).