tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate

C15H28N2O4 — CID 57436999

IUPACtert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)17-8-6-12(7-9-17)10-16(4)11-13(18)20-5/h12H,6-11H2,1-5H3
InChIKeyLWYIJUGISVSDCS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.74
Rot. Bonds4

About tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate (PubChem CID 57436999) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate
PubChem CID57436999
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)17-8-6-12(7-9-17)10-16(4)11-13(18)20-5/h12H,6-11H2,1-5H3
InChIKeyLWYIJUGISVSDCS-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate (CID 57436999) is tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate is COC(=O)CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is LWYIJUGISVSDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)17-8-6-12(7-9-17)10-16(4)11-13(18)20-5/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 57436999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).