1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C17H19N3O3S — CID 46907698

IUPAC1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCO4)s2)CC1
InChIInChI=1S/C17H19N3O3S/c18-16(21)11-3-5-20(6-4-11)17-19-10-15(24-17)12-1-2-13-14(9-12)23-8-7-22-13/h1-2,9-11H,3-8H2,(H2,18,21)
InChIKeyDSVAEAUNOGNSKT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.28
Rot. Bonds3

About 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907698) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907698
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCO4)s2)CC1
InChIInChI=1S/C17H19N3O3S/c18-16(21)11-3-5-20(6-4-11)17-19-10-15(24-17)12-1-2-13-14(9-12)23-8-7-22-13/h1-2,9-11H,3-8H2,(H2,18,21)
InChIKeyDSVAEAUNOGNSKT-UHFFFAOYSA-N
XLogP2.28
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907698) is 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCO4)s2)CC1.
What is the InChIKey of 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is DSVAEAUNOGNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-16(21)11-3-5-20(6-4-11)17-19-10-15(24-17)12-1-2-13-14(9-12)23-8-7-22-13/h1-2,9-11H,3-8H2,(H2,18,21).
What are the key properties of 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).