(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

C19H24N2O4 — CID 101369720

IUPAC(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCC1CC(=O)N(c2ccccc2C(=O)OCC2CCCCN2C)C1=O
InChIInChI=1S/C19H24N2O4/c1-13-11-17(22)21(18(13)23)16-9-4-3-8-15(16)19(24)25-12-14-7-5-6-10-20(14)2/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3
InChIKeyJKAJLTHSKIFKMZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.23
Rot. Bonds4

About (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 101369720) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID101369720
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCC1CC(=O)N(c2ccccc2C(=O)OCC2CCCCN2C)C1=O
InChIInChI=1S/C19H24N2O4/c1-13-11-17(22)21(18(13)23)16-9-4-3-8-15(16)19(24)25-12-14-7-5-6-10-20(14)2/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3
InChIKeyJKAJLTHSKIFKMZ-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylpiperidin-3-yl)methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 134865858
pyridin-3-ylmethyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 10592050
[1-[5-(4-methoxyphenoxy)pentyl]piperidin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 57392655
(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 134866440
[1-[5-(3,4-dichlorophenoxy)pentyl]piperidin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 57392656
[(1S,5S)-3-ethyl-9-methylidene-3-azabicyclo[3.3.1]nonan-1-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 102332622
(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
CID 23904865
[(1S,4R,7S,8S,9S)-3-ethyl-9-methoxy-3-azatricyclo[5.4.0.04,8]undecan-1-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 10623606
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
[(1R,5R,9E)-9-[(2-chlorophenyl)methylidene]-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonan-1-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 102425334
(1-propan-2-ylpiperidin-3-yl)methyl 2-(3-benzyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 57390836

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (CID 101369720) is (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate is CC1CC(=O)N(c2ccccc2C(=O)OCC2CCCCN2C)C1=O.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is JKAJLTHSKIFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-11-17(22)21(18(13)23)16-9-4-3-8-15(16)19(24)25-12-14-7-5-6-10-20(14)2/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
(1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 101369720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).