2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone

C13H20N2O2S — CID 43747571

IUPAC2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-9-13(16)15-5-2-12(3-6-15)14-8-11-4-7-18-10-11/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyGYMIGLSITXQZSY-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.48
Rot. Bonds5

About 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 43747571) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID43747571
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-9-13(16)15-5-2-12(3-6-15)14-8-11-4-7-18-10-11/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyGYMIGLSITXQZSY-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone (CID 43747571) is 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is GYMIGLSITXQZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-9-13(16)15-5-2-12(3-6-15)14-8-11-4-7-18-10-11/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 268.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).