[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

C17H18N2O5S — CID 7276401

IUPAC[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C17H18N2O5S/c1-23-16(21)11-4-6-19(7-5-11)15(20)9-24-17(22)12-2-3-13-14(8-12)25-10-18-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyUHJNWALUXCPCGJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.86
Rot. Bonds4

About [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate (PubChem CID 7276401) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
PubChem CID7276401
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C17H18N2O5S/c1-23-16(21)11-4-6-19(7-5-11)15(20)9-24-17(22)12-2-3-13-14(8-12)25-10-18-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyUHJNWALUXCPCGJ-UHFFFAOYSA-N
XLogP1.86
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate (CID 7276401) is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2ccc3ncsc3c2)CC1.
What is the InChIKey of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The InChIKey is UHJNWALUXCPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-16(21)11-4-6-19(7-5-11)15(20)9-24-17(22)12-2-3-13-14(8-12)25-10-18-13/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 7276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).