tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate

C16H27N3O3S — CID 94646808

IUPACtert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate
SMILESCc1csc(=O)n1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3S/c1-12-11-23-15(21)19(12)9-8-18-7-5-6-13(10-18)17-14(20)22-16(2,3)4/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyVORQOEQIUUOOBV-CYBMUJFWSA-N
MW341.48 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate (PubChem CID 94646808) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate
PubChem CID94646808
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate
SMILESCc1csc(=O)n1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3S/c1-12-11-23-15(21)19(12)9-8-18-7-5-6-13(10-18)17-14(20)22-16(2,3)4/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyVORQOEQIUUOOBV-CYBMUJFWSA-N
XLogP2.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate (CID 94646808) is tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate is Cc1csc(=O)n1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate?
The InChIKey is VORQOEQIUUOOBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12-11-23-15(21)19(12)9-8-18-7-5-6-13(10-18)17-14(20)22-16(2,3)4/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 94646808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).