1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H23N3O5S — CID 55951124

IUPAC1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc2c1OCCO2
InChIInChI=1S/C20H23N3O5S/c1-12-11-29-20(21-12)22-18(24)13-3-5-23(6-4-13)19(25)14-9-15(26-2)17-16(10-14)27-7-8-28-17/h9-11,13H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyALORSBATVPUAGY-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.72
Rot. Bonds4

About 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951124) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55951124
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc2c1OCCO2
InChIInChI=1S/C20H23N3O5S/c1-12-11-29-20(21-12)22-18(24)13-3-5-23(6-4-13)19(25)14-9-15(26-2)17-16(10-14)27-7-8-28-17/h9-11,13H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyALORSBATVPUAGY-UHFFFAOYSA-N
XLogP2.72
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951510
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403665
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952035
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997526
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 55952664

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951124) is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc2c1OCCO2.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ALORSBATVPUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12-11-29-20(21-12)22-18(24)13-3-5-23(6-4-13)19(25)14-9-15(26-2)17-16(10-14)27-7-8-28-17/h9-11,13H,3-8H2,1-2H3,(H,21,22,24).
What are the key properties of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).