tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate

C19H33N3O2S — CID 68577174

IUPACtert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
SMILESCC(C)CCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)6-10-22(14-17-20-9-13-25-17)16-7-11-21(12-8-16)18(23)24-19(3,4)5/h9,13,15-16H,6-8,10-12,14H2,1-5H3
InChIKeyAPUWZSAGIWETRJ-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.39
Rot. Bonds6

About tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate (PubChem CID 68577174) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
PubChem CID68577174
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC Nametert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
SMILESCC(C)CCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)6-10-22(14-17-20-9-13-25-17)16-7-11-21(12-8-16)18(23)24-19(3,4)5/h9,13,15-16H,6-8,10-12,14H2,1-5H3
InChIKeyAPUWZSAGIWETRJ-UHFFFAOYSA-N
XLogP4.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate (CID 68577174) is tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate is CC(C)CCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The InChIKey is APUWZSAGIWETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-15(2)6-10-22(14-17-20-9-13-25-17)16-7-11-21(12-8-16)18(23)24-19(3,4)5/h9,13,15-16H,6-8,10-12,14H2,1-5H3.
What are the key properties of tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate has a molecular weight of 367.56 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-methylbutyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 68577174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).