1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C21H20FN3O3S — CID 17223941

IUPAC1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C21H20FN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)
InChIKeyCYUBQTYZLGHHLX-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17223941) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID17223941
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C21H20FN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)
InChIKeyCYUBQTYZLGHHLX-UHFFFAOYSA-N
XLogP3.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 17223941) is 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is COc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)sc2c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is CYUBQTYZLGHHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26).
What are the key properties of 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17223941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).