1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C19H22N2O3S — CID 24817127

IUPAC1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(C(C)=O)s3)C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(22)17-9-10-18(25-17)19(23)21-11-3-4-15(12-21)20-14-5-7-16(24-2)8-6-14/h5-10,15,20H,3-4,11-12H2,1-2H3
InChIKeyOTYUPAZOLKVTER-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.68
Rot. Bonds5

About 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 24817127) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID24817127
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(C(C)=O)s3)C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(22)17-9-10-18(25-17)19(23)21-11-3-4-15(12-21)20-14-5-7-16(24-2)8-6-14/h5-10,15,20H,3-4,11-12H2,1-2H3
InChIKeyOTYUPAZOLKVTER-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 24817127) is 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone is COc1ccc(NC2CCCN(C(=O)c3ccc(C(C)=O)s3)C2)cc1.
What is the InChIKey of 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is OTYUPAZOLKVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(22)17-9-10-18(25-17)19(23)21-11-3-4-15(12-21)20-14-5-7-16(24-2)8-6-14/h5-10,15,20H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 358.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24817127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).