N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

C24H26FN3O2S — CID 19880303

IUPACN-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-6-2-3-7-21(20)31-26-22)14-4-5-17-12-15-28(16-13-17)23(29)18-8-10-19(25)11-9-18/h2-3,6-11,17H,4-5,12-16H2,1H3
InChIKeyLYILAUQNFFTBKO-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.84
Rot. Bonds6

About N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 19880303) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID19880303
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-6-2-3-7-21(20)31-26-22)14-4-5-17-12-15-28(16-13-17)23(29)18-8-10-19(25)11-9-18/h2-3,6-11,17H,4-5,12-16H2,1H3
InChIKeyLYILAUQNFFTBKO-UHFFFAOYSA-N
XLogP4.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 19880303) is N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is LYILAUQNFFTBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-27(24(30)22-20-6-2-3-7-21(20)31-26-22)14-4-5-17-12-15-28(16-13-17)23(29)18-8-10-19(25)11-9-18/h2-3,6-11,17H,4-5,12-16H2,1H3.
What are the key properties of N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 19880303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).