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

C25H24N4O3S — CID 55457032

IUPACN-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C25H24N4O3S/c30-25(27-21-12-10-20(11-13-21)26-19-6-2-1-3-7-19)18-14-16-29(17-15-18)24-22-8-4-5-9-23(22)33(31,32)28-24/h1-13,18,26H,14-17H2,(H,27,30)
InChIKeyLEIHDUXRODCIPD-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.23
Rot. Bonds4

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

N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (PubChem CID 55457032) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
PubChem CID55457032
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C25H24N4O3S/c30-25(27-21-12-10-20(11-13-21)26-19-6-2-1-3-7-19)18-14-16-29(17-15-18)24-22-8-4-5-9-23(22)33(31,32)28-24/h1-13,18,26H,14-17H2,(H,27,30)
InChIKeyLEIHDUXRODCIPD-UHFFFAOYSA-N
XLogP4.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
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
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55484657
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
N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 8002141
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-iodophenyl)piperidine-3-carboxamide
CID 43033294
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 26011709
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454171
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-4-carboxamide
CID 55890533
2-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 119208840
N-[1-(aminomethyl)cyclopentyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 119568353

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (CID 55457032) is N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The InChIKey is LEIHDUXRODCIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25(27-21-12-10-20(11-13-21)26-19-6-2-1-3-7-19)18-14-16-29(17-15-18)24-22-8-4-5-9-23(22)33(31,32)28-24/h1-13,18,26H,14-17H2,(H,27,30).
What are the key properties of N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55457032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).