ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate

C16H19NO3S — CID 71545383

IUPACethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C16H19NO3S/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3
InChIKeySJGNCSDGZZSPDL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds4

About ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate

ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate (PubChem CID 71545383) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
PubChem CID71545383
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C16H19NO3S/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3
InChIKeySJGNCSDGZZSPDL-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate (CID 71545383) is ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate is CCOC(=O)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The InChIKey is SJGNCSDGZZSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 71545383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).