tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate

C17H29N3O2S — CID 103881334

IUPACtert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate
SMILESCC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1
InChIInChI=1S/C17H29N3O2S/c1-12(19-13(2)15-10-23-11-18-15)14-7-6-8-20(9-14)16(21)22-17(3,4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyOUQKCWFQGUBDSX-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate (PubChem CID 103881334) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate
PubChem CID103881334
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate
SMILESCC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1
InChIInChI=1S/C17H29N3O2S/c1-12(19-13(2)15-10-23-11-18-15)14-7-6-8-20(9-14)16(21)22-17(3,4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyOUQKCWFQGUBDSX-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[1-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
CID 103780304
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CID 55212997
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate
CID 124868882
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate (CID 103881334) is tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate is CC(NC(C)C1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1.
What is the InChIKey of tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is OUQKCWFQGUBDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12(19-13(2)15-10-23-11-18-15)14-7-6-8-20(9-14)16(21)22-17(3,4)5/h10-14,19H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 339.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103881334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).