tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate

C17H29N3O3S — CID 57494025

IUPACtert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3S/c1-17(2,3)23-16(21)19-8-5-14(6-9-19)20(10-11-22-4)13-15-18-7-12-24-15/h7,12,14H,5-6,8-11,13H2,1-4H3
InChIKeyLOKMEVPNFNZZBD-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.99
Rot. Bonds6

About tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate (PubChem CID 57494025) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
PubChem CID57494025
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Nametert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3S/c1-17(2,3)23-16(21)19-8-5-14(6-9-19)20(10-11-22-4)13-15-18-7-12-24-15/h7,12,14H,5-6,8-11,13H2,1-4H3
InChIKeyLOKMEVPNFNZZBD-UHFFFAOYSA-N
XLogP2.99
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate (CID 57494025) is tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate is COCCN(Cc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
The InChIKey is LOKMEVPNFNZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-17(2,3)23-16(21)19-8-5-14(6-9-19)20(10-11-22-4)13-15-18-7-12-24-15/h7,12,14H,5-6,8-11,13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate has a molecular weight of 355.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 57494025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).