[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone

C13H19NO2S — CID 53150842

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCOCCC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C13H19NO2S/c1-16-8-4-11-2-6-14(7-3-11)13(15)12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3
InChIKeySBYGPJNMLHKUTH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds4

About [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53150842) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53150842
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCOCCC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C13H19NO2S/c1-16-8-4-11-2-6-14(7-3-11)13(15)12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3
InChIKeySBYGPJNMLHKUTH-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 53150842) is [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone is COCCC1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is SBYGPJNMLHKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-8-4-11-2-6-14(7-3-11)13(15)12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3.
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 253.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53150842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).