2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C17H18N2O3S — CID 647147

IUPAC2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-22-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-23-15/h1-7,12H,8-11,13H2
InChIKeyOIFSUHOLRQFWFK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.11
Rot. Bonds4

About 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 647147) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID647147
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-22-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-23-15/h1-7,12H,8-11,13H2
InChIKeyOIFSUHOLRQFWFK-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 839099
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CID 896558
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CID 1147989
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CID 67511677
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CID 67512148
CID 67512148
CID 78788985
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CID 694533
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CID 118112570
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CID 742500
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CID 2997724
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CID 3149185
CID 3149185
CID 110196227
CID 110196227

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 647147) is 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is OIFSUHOLRQFWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(13-22-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-23-15/h1-7,12H,8-11,13H2.
What are the key properties of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 330.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 647147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).