1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide

C25H23N3O4S — CID 55348342

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C25H23N3O4S/c29-25(26-19-7-6-10-21(17-19)32-20-8-2-1-3-9-20)18-13-15-28(16-14-18)24-22-11-4-5-12-23(22)33(30,31)27-24/h1-12,17-18H,13-16H2,(H,26,29)
InChIKeyHWARKLYYKSYYTG-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.28
Rot. Bonds4

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 55348342) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID55348342
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C25H23N3O4S/c29-25(26-19-7-6-10-21(17-19)32-20-8-2-1-3-9-20)18-13-15-28(16-14-18)24-22-11-4-5-12-23(22)33(30,31)27-24/h1-12,17-18H,13-16H2,(H,26,29)
InChIKeyHWARKLYYKSYYTG-UHFFFAOYSA-N
XLogP4.28
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide
CID 55890533
N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 26574894
3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119176968
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 41409741
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541
N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033280
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
N-[(3-chlorophenyl)-phenylmethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 55804404
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454171

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide (CID 55348342) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HWARKLYYKSYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c29-25(26-19-7-6-10-21(17-19)32-20-8-2-1-3-9-20)18-13-15-28(16-14-18)24-22-11-4-5-12-23(22)33(30,31)27-24/h1-12,17-18H,13-16H2,(H,26,29).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.28, 4 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-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55348342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).