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

C16H25N3O3S — CID 71632474

IUPACtert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(=O)c2nccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)18-10-12-4-7-19(8-5-12)11-13(20)14-17-6-9-23-14/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyFLEIIAAKZBASDR-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.56
Rot. Bonds5

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

tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate (PubChem CID 71632474) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate
PubChem CID71632474
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nametert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(=O)c2nccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)18-10-12-4-7-19(8-5-12)11-13(20)14-17-6-9-23-14/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyFLEIIAAKZBASDR-UHFFFAOYSA-N
XLogP2.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-3-yl]methyl]carbamate
CID 71632467
tert-butyl 3-[[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 71630223
tert-butyl N-[[1-(2-chloroprop-2-enyl)piperidin-4-yl]methyl]carbamate
CID 71967835
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 71649466
2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 71649329
tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 129460547
tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97175606
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174691
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate (CID 71632474) is tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(CC(=O)c2nccs2)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is FLEIIAAKZBASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)18-10-12-4-7-19(8-5-12)11-13(20)14-17-6-9-23-14/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 339.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 71632474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).