(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate

C16H16ClNO3S — CID 2373055

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-11-6-2-3-7-12(11)22-15(14)16(20)21-10-13(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBPNIXLRRNAWOSV-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.72
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 2373055) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate
PubChem CID2373055
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-11-6-2-3-7-12(11)22-15(14)16(20)21-10-13(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBPNIXLRRNAWOSV-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate (CID 2373055) is (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is BPNIXLRRNAWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-14-11-6-2-3-7-12(11)22-15(14)16(20)21-10-13(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 337.83 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 2373055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).