benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate

C18H22N2O4 — CID 121398826

IUPACbenzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate
SMILESO=C1CCN(N2CCC(C(=O)OCc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C18H22N2O4/c21-16-8-11-20(17(22)12-16)19-9-6-15(7-10-19)18(23)24-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyFSQDOSVPHPLFNF-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.55
Rot. Bonds4

About benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate

benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate (PubChem CID 121398826) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate
PubChem CID121398826
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namebenzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate
SMILESO=C1CCN(N2CCC(C(=O)OCc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C18H22N2O4/c21-16-8-11-20(17(22)12-16)19-9-6-15(7-10-19)18(23)24-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyFSQDOSVPHPLFNF-UHFFFAOYSA-N
XLogP1.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 1-diphenoxyphosphanylpiperidine-4-carboxylate
CID 163210413
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate?
The IUPAC name of benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate (CID 121398826) is benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate?
The canonical SMILES for benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate is O=C1CCN(N2CCC(C(=O)OCc3ccccc3)CC2)C(=O)C1.
What is the InChIKey of benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate?
The InChIKey is FSQDOSVPHPLFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16-8-11-20(17(22)12-16)19-9-6-15(7-10-19)18(23)24-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate?
benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(2,4-dioxopiperidin-1-yl)piperidine-4-carboxylate is sourced from PubChem (CID 121398826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).