tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate

C17H27N3O4S — CID 86982126

IUPACtert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCc1csc(=O)n1CC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O4S/c1-12-11-25-16(23)20(12)10-14(21)18(5)13-6-8-19(9-7-13)15(22)24-17(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyKNYGOXDIKXVNNW-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 86982126) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID86982126
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Nametert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCc1csc(=O)n1CC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O4S/c1-12-11-25-16(23)20(12)10-14(21)18(5)13-6-8-19(9-7-13)15(22)24-17(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyKNYGOXDIKXVNNW-UHFFFAOYSA-N
XLogP2.08
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
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tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
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tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
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CID 69370848
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CID 60547812
tert-butyl 4-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
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tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
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tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
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tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 86982126) is tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate is Cc1csc(=O)n1CC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is KNYGOXDIKXVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-11-25-16(23)20(12)10-14(21)18(5)13-6-8-19(9-7-13)15(22)24-17(2,3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86982126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).