tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate

C15H25N3O2S — CID 96563340

IUPACtert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-11(13-16-7-9-21-13)17-12-6-5-8-18(10-12)14(19)20-15(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKeyFKOBSDCOGQIGAK-NWDGAFQWSA-N
MW311.45 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate (PubChem CID 96563340) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
PubChem CID96563340
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C15H25N3O2S/c1-11(13-16-7-9-21-13)17-12-6-5-8-18(10-12)14(19)20-15(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKeyFKOBSDCOGQIGAK-NWDGAFQWSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 71183822
tert-butyl 3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 71633620
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175883
tert-butyl (3S)-3-methoxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904519
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 3-(1-thiophen-3-ylethylamino)azepane-1-carboxylate
CID 103783574
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 97175470
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate (CID 96563340) is tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate is C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1.
What is the InChIKey of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is FKOBSDCOGQIGAK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(13-16-7-9-21-13)17-12-6-5-8-18(10-12)14(19)20-15(2,3)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 96563340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).