1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C17H25N3O3S — CID 24733172

IUPAC1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCCN1CCN(C(=O)Cc2cccs2)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H25N3O3S/c1-2-18-5-6-20(16(21)12-14-4-3-11-24-14)15(13-18)17(22)19-7-9-23-10-8-19/h3-4,11,15H,2,5-10,12-13H2,1H3
InChIKeyVLTJBZHLDGAHDU-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.68
Rot. Bonds4

About 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 24733172) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID24733172
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCCN1CCN(C(=O)Cc2cccs2)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H25N3O3S/c1-2-18-5-6-20(16(21)12-14-4-3-11-24-14)15(13-18)17(22)19-7-9-23-10-8-19/h3-4,11,15H,2,5-10,12-13H2,1H3
InChIKeyVLTJBZHLDGAHDU-UHFFFAOYSA-N
XLogP0.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 24733172) is 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is CCN1CCN(C(=O)Cc2cccs2)C(C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is VLTJBZHLDGAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-18-5-6-20(16(21)12-14-4-3-11-24-14)15(13-18)17(22)19-7-9-23-10-8-19/h3-4,11,15H,2,5-10,12-13H2,1H3.
What are the key properties of 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 351.47 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 24733172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).