methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

C19H24N2O4 — CID 2943725

IUPACmethyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-12-8-13(2)10-15(9-12)21-17(22)11-16(18(21)23)20-6-4-14(5-7-20)19(24)25-3/h8-10,14,16H,4-7,11H2,1-3H3
InChIKeyLFTARHUMGDUOLR-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.82
Rot. Bonds3

About methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2943725) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2943725
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-12-8-13(2)10-15(9-12)21-17(22)11-16(18(21)23)20-6-4-14(5-7-20)19(24)25-3/h8-10,14,16H,4-7,11H2,1-3H3
InChIKeyLFTARHUMGDUOLR-UHFFFAOYSA-N
XLogP1.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.82
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 methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2943725) is methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is COC(=O)C1CCN(C2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1.
What is the InChIKey of methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is LFTARHUMGDUOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-8-13(2)10-15(9-12)21-17(22)11-16(18(21)23)20-6-4-14(5-7-20)19(24)25-3/h8-10,14,16H,4-7,11H2,1-3H3.
What are the key properties of methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2943725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).