1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C19H22N2O3S — CID 110802544

IUPAC1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-14-5-6-17(24-2)16(12-14)19(23)21-9-7-20(8-10-21)18(22)13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyKBOLOFXIQIAFCS-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110802544) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110802544
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-14-5-6-17(24-2)16(12-14)19(23)21-9-7-20(8-10-21)18(22)13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyKBOLOFXIQIAFCS-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108544530
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-(4-fluorophenyl)-1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]ethanone
CID 55657486
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110396012
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 110802544) is 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone is COc1ccc(C)cc1C(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is KBOLOFXIQIAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-5-6-17(24-2)16(12-14)19(23)21-9-7-20(8-10-21)18(22)13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 358.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110802544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).