tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate

C16H30N2O4 — CID 67780429

IUPACtert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)CNC(C)N1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-6-21-14(19)11-17-12(2)18-10-8-7-9-13(18)15(20)22-16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyYZONLDIYOBTOIY-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.68
Rot. Bonds6

About tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate

tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate (PubChem CID 67780429) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate
PubChem CID67780429
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)CNC(C)N1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-6-21-14(19)11-17-12(2)18-10-8-7-9-13(18)15(20)22-16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyYZONLDIYOBTOIY-UHFFFAOYSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537691
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate (CID 67780429) is tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate is CCOC(=O)CNC(C)N1CCCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate?
The InChIKey is YZONLDIYOBTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-21-14(19)11-17-12(2)18-10-8-7-9-13(18)15(20)22-16(3,4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate?
tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[1-[(2-ethoxy-2-oxoethyl)amino]ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 67780429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).