1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

C14H21NO3S — CID 91918252

IUPAC1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCOCCOC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H21NO3S/c1-17-8-9-18-12-4-6-15(7-5-12)14(16)11-13-3-2-10-19-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyNXRSUBPZDZACRW-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.94
Rot. Bonds6

About 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 91918252) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID91918252
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCOCCOC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H21NO3S/c1-17-8-9-18-12-4-6-15(7-5-12)14(16)11-13-3-2-10-19-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyNXRSUBPZDZACRW-UHFFFAOYSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 91918252) is 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is COCCOC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NXRSUBPZDZACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-17-8-9-18-12-4-6-15(7-5-12)14(16)11-13-3-2-10-19-13/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 283.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 91918252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).