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

C14H22N2O2S — CID 51075979

IUPACethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(CC)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-13-15-12(10-19-13)9-16-7-5-11(6-8-16)14(17)18-4-2/h10-11H,3-9H2,1-2H3
InChIKeyMOYZPCQKLKGJNL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.48
Rot. Bonds5

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

ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 51075979) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID51075979
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(CC)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-13-15-12(10-19-13)9-16-7-5-11(6-8-16)14(17)18-4-2/h10-11H,3-9H2,1-2H3
InChIKeyMOYZPCQKLKGJNL-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (CID 51075979) is ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2csc(CC)n2)CC1.
What is the InChIKey of ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is MOYZPCQKLKGJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-13-15-12(10-19-13)9-16-7-5-11(6-8-16)14(17)18-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 51075979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).