1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H21N3O4S — CID 55952272

IUPAC1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C3COc4ccccc4O3)CC2)n1
InChIInChI=1S/C19H21N3O4S/c1-12-11-27-19(20-12)21-17(23)13-6-8-22(9-7-13)18(24)16-10-25-14-4-2-3-5-15(14)26-16/h2-5,11,13,16H,6-10H2,1H3,(H,20,21,23)
InChIKeyPHRDJXSXKQSHAI-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952272) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952272
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C3COc4ccccc4O3)CC2)n1
InChIInChI=1S/C19H21N3O4S/c1-12-11-27-19(20-12)21-17(23)13-6-8-22(9-7-13)18(24)16-10-25-14-4-2-3-5-15(14)26-16/h2-5,11,13,16H,6-10H2,1H3,(H,20,21,23)
InChIKeyPHRDJXSXKQSHAI-UHFFFAOYSA-N
XLogP2.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)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

2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56807662
1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602237
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 93326736
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
N-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118731
[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18164983
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]methanone
CID 133372608
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18164690
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818054

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952272) is 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)C3COc4ccccc4O3)CC2)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PHRDJXSXKQSHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-11-27-19(20-12)21-17(23)13-6-8-22(9-7-13)18(24)16-10-25-14-4-2-3-5-15(14)26-16/h2-5,11,13,16H,6-10H2,1H3,(H,20,21,23).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).