tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate

C12H22N2O3 — CID 24901825

IUPACtert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCOBFGLKMWGHNEK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate

tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 24901825) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate
PubChem CID24901825
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCOBFGLKMWGHNEK-UHFFFAOYSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate (CID 24901825) is tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is COBFGLKMWGHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 24901825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).