N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C24H22FN3O3S — CID 24981645

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H22FN3O3S/c1-15(29)21-20(16-5-3-2-4-6-16)26-24(32-21)27-22(30)17-11-13-28(14-12-17)23(31)18-7-9-19(25)10-8-18/h2-10,17H,11-14H2,1H3,(H,26,27,30)
InChIKeyDDOXGWVVIBABQS-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.64
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 24981645) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID24981645
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H22FN3O3S/c1-15(29)21-20(16-5-3-2-4-6-16)26-24(32-21)27-22(30)17-11-13-28(14-12-17)23(31)18-7-9-19(25)10-8-18/h2-10,17H,11-14H2,1H3,(H,26,27,30)
InChIKeyDDOXGWVVIBABQS-UHFFFAOYSA-N
XLogP4.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 24981645) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DDOXGWVVIBABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-15(29)21-20(16-5-3-2-4-6-16)26-24(32-21)27-22(30)17-11-13-28(14-12-17)23(31)18-7-9-19(25)10-8-18/h2-10,17H,11-14H2,1H3,(H,26,27,30).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).