N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

C24H30N6O4S — CID 35900064

IUPACN,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1
InChIInChI=1S/C24H30N6O4S/c1-27(2)35(32,33)19-6-7-21(28-13-15-34-16-14-28)20(17-19)24(31)29-11-8-18(9-12-29)23-26-25-22-5-3-4-10-30(22)23/h3-7,10,17-18H,8-9,11-16H2,1-2H3
InChIKeyLOPCHAWPZUXYQG-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.84
Rot. Bonds5

About N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 35900064) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID35900064
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC NameN,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1
InChIInChI=1S/C24H30N6O4S/c1-27(2)35(32,33)19-6-7-21(28-13-15-34-16-14-28)20(17-19)24(31)29-11-8-18(9-12-29)23-26-25-22-5-3-4-10-30(22)23/h3-7,10,17-18H,8-9,11-16H2,1-2H3
InChIKeyLOPCHAWPZUXYQG-UHFFFAOYSA-N
XLogP1.84
TPSA100.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide 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

3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55527467
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
CID 55447395
4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 43048051
3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55905673
3-methylsulfonyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]benzenesulfonamide
CID 56563964
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018822
1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42569763
(2,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742881
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705753

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 35900064) is N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1.
What is the InChIKey of N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is LOPCHAWPZUXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-27(2)35(32,33)19-6-7-21(28-13-15-34-16-14-28)20(17-19)24(31)29-11-8-18(9-12-29)23-26-25-22-5-3-4-10-30(22)23/h3-7,10,17-18H,8-9,11-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 35900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).