(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C13H18ClNO2S — CID 53150860

IUPAC(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClNO2S/c1-17-9-6-10-4-7-15(8-5-10)13(16)11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3
InChIKeySTQZAZACCWURCL-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.29
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150860) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150860
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClNO2S/c1-17-9-6-10-4-7-15(8-5-10)13(16)11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3
InChIKeySTQZAZACCWURCL-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150860) is (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is STQZAZACCWURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-17-9-6-10-4-7-15(8-5-10)13(16)11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 287.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).