tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate

C17H27N3O4S — CID 67395794

IUPACtert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)N(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cncs1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)24-15(21)19-8-5-13(6-9-19)7-10-20(16(22)23-4)14-11-18-12-25-14/h11-13H,5-10H2,1-4H3
InChIKeyAAFGGOODHHCYJM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 67395794) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate
PubChem CID67395794
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Nametert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)N(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cncs1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)24-15(21)19-8-5-13(6-9-19)7-10-20(16(22)23-4)14-11-18-12-25-14/h11-13H,5-10H2,1-4H3
InChIKeyAAFGGOODHHCYJM-UHFFFAOYSA-N
XLogP3.75
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate (CID 67395794) is tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate is COC(=O)N(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cncs1.
What is the InChIKey of tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is AAFGGOODHHCYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-17(2,3)24-15(21)19-8-5-13(6-9-19)7-10-20(16(22)23-4)14-11-18-12-25-14/h11-13H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).