N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide

C24H29FN4O3S — CID 52941613

IUPACN-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCN1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C24H29FN4O3S/c1-24(2,15-27-23(30)20-10-6-7-13-26-20)16-29(18-8-4-3-5-9-18)22-19-12-11-17(25)14-21(19)33(31,32)28-22/h3-5,8-9,11-12,14,20,26H,6-7,10,13,15-16H2,1-2H3,(H,27,30)
InChIKeyVKHOHKDBKMJNHL-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide

N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide (PubChem CID 52941613) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide
PubChem CID52941613
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC NameN-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCN1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C24H29FN4O3S/c1-24(2,15-27-23(30)20-10-6-7-13-26-20)16-29(18-8-4-3-5-9-18)22-19-12-11-17(25)14-21(19)33(31,32)28-22/h3-5,8-9,11-12,14,20,26H,6-7,10,13,15-16H2,1-2H3,(H,27,30)
InChIKeyVKHOHKDBKMJNHL-UHFFFAOYSA-N
XLogP3.07
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide (CID 52941613) is N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide is CC(C)(CNC(=O)C1CCCCN1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1.
What is the InChIKey of N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide?
The InChIKey is VKHOHKDBKMJNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-24(2,15-27-23(30)20-10-6-7-13-26-20)16-29(18-8-4-3-5-9-18)22-19-12-11-17(25)14-21(19)33(31,32)28-22/h3-5,8-9,11-12,14,20,26H,6-7,10,13,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide?
N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]piperidine-2-carboxamide is sourced from PubChem (CID 52941613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).