tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate

C16H27N3O2S — CID 97167380

IUPACtert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(Cc1cncs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)19-7-5-6-13(10-19)9-18(4)11-14-8-17-12-22-14/h8,12-13H,5-7,9-11H2,1-4H3/t13-/m1/s1
InChIKeyGJTCEEVCQMHVOW-CYBMUJFWSA-N
MW325.48 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 97167380) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID97167380
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(Cc1cncs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)19-7-5-6-13(10-19)9-18(4)11-14-8-17-12-22-14/h8,12-13H,5-7,9-11H2,1-4H3/t13-/m1/s1
InChIKeyGJTCEEVCQMHVOW-CYBMUJFWSA-N
XLogP3.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167526
tert-butyl (3R)-3-[[(S)-1,3-thiazol-5-ylmethylsulfinyl]methyl]piperidine-1-carboxylate
CID 97172657
tert-butyl (3R)-3-(1,3-thiazol-5-ylmethylsulfanyl)piperidine-1-carboxylate
CID 97031858
tert-butyl (3R)-3-[(S)-1,3-thiazol-5-ylmethylsulfinyl]piperidine-1-carboxylate
CID 97171997
tert-butyl 3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71648386
tert-butyl (3R)-3-[[methyl-[(3-methylsulfanylpyrazin-2-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 97168450
tert-butyl (3R)-3-[[(R)-1,3-thiazol-5-ylmethylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97171619
tert-butyl (3S)-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167671
tert-butyl 3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647808
tert-butyl (3R)-3-[[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 97167354
tert-butyl 3-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 71647595
tert-butyl (3S)-3-[[[2-(furan-2-yl)-2-oxoethyl]-methylamino]methyl]piperidine-1-carboxylate
CID 97167353

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate (CID 97167380) is tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate is CN(Cc1cncs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is GJTCEEVCQMHVOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)19-7-5-6-13(10-19)9-18(4)11-14-8-17-12-22-14/h8,12-13H,5-7,9-11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 325.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).