1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C22H25N3O3S — CID 26558342

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O3S/c1-16-7-3-4-8-18(16)15-24(2)22(26)17-11-13-25(14-12-17)21-19-9-5-6-10-20(19)29(27,28)23-21/h3-10,17H,11-15H2,1-2H3
InChIKeyWEVLTDDCYGLOPK-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.81
Rot. Bonds3

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 26558342) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID26558342
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O3S/c1-16-7-3-4-8-18(16)15-24(2)22(26)17-11-13-25(14-12-17)21-19-9-5-6-10-20(19)29(27,28)23-21/h3-10,17H,11-15H2,1-2H3
InChIKeyWEVLTDDCYGLOPK-UHFFFAOYSA-N
XLogP2.81
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-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

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 31151535
2-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 119208840
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 86976049
(2-methylphenyl)methyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 8646419
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42887583
N-[(3,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60533690
methyl 3-[benzyl-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoate
CID 55513497
N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35440107
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541
N-benzyl-1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 133287149
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542287
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 39976071

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 26558342) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CN(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WEVLTDDCYGLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-7-3-4-8-18(16)15-24(2)22(26)17-11-13-25(14-12-17)21-19-9-5-6-10-20(19)29(27,28)23-21/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 26558342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).