1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C17H26N2O2S — CID 53193434

IUPAC1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H26N2O2S/c20-17(13-15-5-12-22-14-15)19-6-2-1-3-16(19)4-7-18-8-10-21-11-9-18/h5,12,14,16H,1-4,6-11,13H2
InChIKeyWLQKQQDSXGPSLZ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53193434) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53193434
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H26N2O2S/c20-17(13-15-5-12-22-14-15)19-6-2-1-3-16(19)4-7-18-8-10-21-11-9-18/h5,12,14,16H,1-4,6-11,13H2
InChIKeyWLQKQQDSXGPSLZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 53193434) is 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is WLQKQQDSXGPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-17(13-15-5-12-22-14-15)19-6-2-1-3-16(19)4-7-18-8-10-21-11-9-18/h5,12,14,16H,1-4,6-11,13H2.
What are the key properties of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 322.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53193434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).