N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C20H19N3O3S — CID 656056

IUPACN-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H19N3O3S/c24-19(21-14-7-8-16-17(10-14)26-12-25-16)13-4-3-9-23(11-13)20-22-15-5-1-2-6-18(15)27-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,21,24)
InChIKeyRHVUWIIHNZIAMU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.88
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 656056) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID656056
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H19N3O3S/c24-19(21-14-7-8-16-17(10-14)26-12-25-16)13-4-3-9-23(11-13)20-22-15-5-1-2-6-18(15)27-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,21,24)
InChIKeyRHVUWIIHNZIAMU-UHFFFAOYSA-N
XLogP3.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-(4-Piperonyl)piperazinyl)benzothiazole
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N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
CID 7189860
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 7202949
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1537190
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2950559
1-(benzo[d]thiazol-2-yl)-N-(3,4-dimethoxyphenethyl)piperidine-3-carboxamide
CID 3224277
6-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3236538
N-1,3-benzodioxol-5-yl-6-methoxy-1,3-benzothiazol-2-amine
CID 3239232
6-Piperidin-1-yl[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3243735
6-(4-Phenylpiperazin-1-yl)[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3245124
N-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)isobutyramide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 656056) is N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RHVUWIIHNZIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(21-14-7-8-16-17(10-14)26-12-25-16)13-4-3-9-23(11-13)20-22-15-5-1-2-6-18(15)27-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 656056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).