[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C16H18N2O2S — CID 674942

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-4-13(5-7-14)17-8-10-18(11-9-17)16(19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyXGRIMTVHBPVMSL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.72
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 674942) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID674942
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-4-13(5-7-14)17-8-10-18(11-9-17)16(19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyXGRIMTVHBPVMSL-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
2-({3-ethyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 6624353
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
3-Butoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015934
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 674942) is [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is COc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XGRIMTVHBPVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-6-4-13(5-7-14)17-8-10-18(11-9-17)16(19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 674942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).