2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate

C13H23NO3 — CID 169083447

IUPAC2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(CC=O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)17-12(16)14-8-5-11(6-9-14)7-10-15/h10-11H,4-9H2,1-3H3
InChIKeyPZPXRDKSTYAVJH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.61
Rot. Bonds4

About 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate

2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate (PubChem CID 169083447) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
PubChem CID169083447
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(CC=O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)17-12(16)14-8-5-11(6-9-14)7-10-15/h10-11H,4-9H2,1-3H3
InChIKeyPZPXRDKSTYAVJH-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
methyl 4-(2-oxoethyl)azepane-1-carboxylate
CID 83908232
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;styrene
CID 135078914
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 135170247
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
CID 121355117
2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
CID 155769975
CID 155769975
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate (CID 169083447) is 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(CC=O)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is PZPXRDKSTYAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(2,3)17-12(16)14-8-5-11(6-9-14)7-10-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate?
2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 169083447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).