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

C20H21NO4S — CID 24816738

IUPAC1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(C(C)=O)s2)C1
InChIInChI=1S/C20H21NO4S/c1-13(22)17-9-10-18(26-17)20(24)21-11-5-6-14(12-21)19(23)15-7-3-4-8-16(15)25-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3
InChIKeyQJUYPPGMXNISLS-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.69
Rot. Bonds5

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

1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 24816738) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID24816738
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(C(C)=O)s2)C1
InChIInChI=1S/C20H21NO4S/c1-13(22)17-9-10-18(26-17)20(24)21-11-5-6-14(12-21)19(23)15-7-3-4-8-16(15)25-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3
InChIKeyQJUYPPGMXNISLS-UHFFFAOYSA-N
XLogP3.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 24816738) is 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(C(C)=O)s2)C1.
What is the InChIKey of 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is QJUYPPGMXNISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-13(22)17-9-10-18(26-17)20(24)21-11-5-6-14(12-21)19(23)15-7-3-4-8-16(15)25-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3.
What are the key properties of 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 371.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2-methoxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24816738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).