1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone

C15H22N2O2S — CID 122243225

IUPAC1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOC1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C15H22N2O2S/c1-19-14-2-5-16(6-3-14)13-9-17(10-13)15(18)8-12-4-7-20-11-12/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyQMTYCDXRRPTYCU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds4

About 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 122243225) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID122243225
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOC1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C15H22N2O2S/c1-19-14-2-5-16(6-3-14)13-9-17(10-13)15(18)8-12-4-7-20-11-12/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyQMTYCDXRRPTYCU-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone (CID 122243225) is 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone is COC1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is QMTYCDXRRPTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-14-2-5-16(6-3-14)13-9-17(10-13)15(18)8-12-4-7-20-11-12/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 294.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 122243225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).