ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate

C15H24N2O2S — CID 51086514

IUPACethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(18)12-5-7-17(8-6-12)9-13-10-20-14(16-13)11(2)3/h10-12H,4-9H2,1-3H3
InChIKeyVMPUXKSVNSXPPH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.04
Rot. Bonds5

About ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 51086514) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID51086514
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(18)12-5-7-17(8-6-12)9-13-10-20-14(16-13)11(2)3/h10-12H,4-9H2,1-3H3
InChIKeyVMPUXKSVNSXPPH-UHFFFAOYSA-N
XLogP3.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (CID 51086514) is ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2csc(C(C)C)n2)CC1.
What is the InChIKey of ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is VMPUXKSVNSXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-15(18)12-5-7-17(8-6-12)9-13-10-20-14(16-13)11(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 51086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).