tert-butyl 4-oxopiperidine-1-carboxylate;methane

C11H21NO3 — CID 156835039

IUPACtert-butyl 4-oxopiperidine-1-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO3.CH4/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;/h4-7H2,1-3H3;1H4
InChIKeyAUPRMHVOHCRZDA-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds

About tert-butyl 4-oxopiperidine-1-carboxylate;methane

tert-butyl 4-oxopiperidine-1-carboxylate;methane (PubChem CID 156835039) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 4-oxopiperidine-1-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 4-oxopiperidine-1-carboxylate;methane
PubChem CID156835039
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 4-oxopiperidine-1-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO3.CH4/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;/h4-7H2,1-3H3;1H4
InChIKeyAUPRMHVOHCRZDA-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
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CID 2756808
CID 88986772
CID 88986772
2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate
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tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
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tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
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tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxopiperidine-1-carboxylate;methane?
The IUPAC name of tert-butyl 4-oxopiperidine-1-carboxylate;methane (CID 156835039) is tert-butyl 4-oxopiperidine-1-carboxylate;methane.
What is the SMILES notation for tert-butyl 4-oxopiperidine-1-carboxylate;methane?
The canonical SMILES for tert-butyl 4-oxopiperidine-1-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCC(=O)CC1.
What is the InChIKey of tert-butyl 4-oxopiperidine-1-carboxylate;methane?
The InChIKey is AUPRMHVOHCRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.CH4/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;/h4-7H2,1-3H3;1H4.
What are the key properties of tert-butyl 4-oxopiperidine-1-carboxylate;methane?
tert-butyl 4-oxopiperidine-1-carboxylate;methane has a molecular weight of 215.29 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxopiperidine-1-carboxylate;methane is sourced from PubChem (CID 156835039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).