tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate

C17H26N2O3S — CID 104892536

IUPACtert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nc(C(=O)CC2CCCC(C)N2C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H26N2O3S/c1-11-7-6-8-13(19(11)16(21)22-17(3,4)5)9-15(20)14-10-23-12(2)18-14/h10-11,13H,6-9H2,1-5H3
InChIKeyRIXOJIFQYKZOEP-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 104892536) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID104892536
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nc(C(=O)CC2CCCC(C)N2C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H26N2O3S/c1-11-7-6-8-13(19(11)16(21)22-17(3,4)5)9-15(20)14-10-23-12(2)18-14/h10-11,13H,6-9H2,1-5H3
InChIKeyRIXOJIFQYKZOEP-UHFFFAOYSA-N
XLogP4.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 104892536) is tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate is Cc1nc(C(=O)CC2CCCC(C)N2C(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is RIXOJIFQYKZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11-7-6-8-13(19(11)16(21)22-17(3,4)5)9-15(20)14-10-23-12(2)18-14/h10-11,13H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 338.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 104892536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).