tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride

C10H16ClNO4 — CID 170354095

IUPACtert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(=O)CC(=O)C1.Cl
InChIInChI=1S/C10H15NO4.ClH/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11;/h4-6H2,1-3H3;1H
InChIKeyJMNHYDNDRQJCPO-UHFFFAOYSA-N
MW249.69 g/mol
LogP1.19
Rot. Bonds

About tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride

tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride (PubChem CID 170354095) has the molecular formula C10H16ClNO4 and a molecular weight of 249.69 g/mol. Its IUPAC name is tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
PubChem CID170354095
Molecular FormulaC10H16ClNO4
Molecular Weight249.69 g/mol
Exact Mass249.08
IUPAC Nametert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(=O)CC(=O)C1.Cl
InChIInChI=1S/C10H15NO4.ClH/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11;/h4-6H2,1-3H3;1H
InChIKeyJMNHYDNDRQJCPO-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 156835039
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CID 119081421
tert-butyl 3-oxo-1,5-oxazocane-5-carboxylate
CID 122547457
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
CID 131407351
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133
tert-butyl 3-oxo-5-(trifluoromethyl)piperidine-1-carboxylate
CID 162422265
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione
CID 160911795

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride (CID 170354095) is tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC(=O)CC(=O)C1.Cl.
What is the InChIKey of tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride?
The InChIKey is JMNHYDNDRQJCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4.ClH/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11;/h4-6H2,1-3H3;1H.
What are the key properties of tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride?
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 170354095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).