1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide

C26H24FN3O4S — CID 55890533

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C26H24FN3O4S/c27-20-6-3-5-18(15-20)17-34-22-8-4-7-21(16-22)28-26(31)19-11-13-30(14-12-19)25-23-9-1-2-10-24(23)35(32,33)29-25/h1-10,15-16,19H,11-14,17H2,(H,28,31)
InChIKeyIOQKIENXLNFGEH-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.20
Rot. Bonds5

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide (PubChem CID 55890533) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide
PubChem CID55890533
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C26H24FN3O4S/c27-20-6-3-5-18(15-20)17-34-22-8-4-7-21(16-22)28-26(31)19-11-13-30(14-12-19)25-23-9-1-2-10-24(23)35(32,33)29-25/h1-10,15-16,19H,11-14,17H2,(H,28,31)
InChIKeyIOQKIENXLNFGEH-UHFFFAOYSA-N
XLogP4.20
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 55348342
N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 55457032
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55903103
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27515044
N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 26574894
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55484657
N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 8002141
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119176968
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide (CID 55890533) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is IOQKIENXLNFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c27-20-6-3-5-18(15-20)17-34-22-8-4-7-21(16-22)28-26(31)19-11-13-30(14-12-19)25-23-9-1-2-10-24(23)35(32,33)29-25/h1-10,15-16,19H,11-14,17H2,(H,28,31).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55890533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).