2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

C18H18N4O2S — CID 90566474

IUPAC2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc4nsnc4c3)CC2)cn1
InChIInChI=1S/C18H18N4O2S/c1-12-2-4-15(11-19-12)24-14-6-8-22(9-7-14)18(23)13-3-5-16-17(10-13)21-25-20-16/h2-5,10-11,14H,6-9H2,1H3
InChIKeyPRAWBCLJIBUINE-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.08
Rot. Bonds3

About 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 90566474) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID90566474
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc4nsnc4c3)CC2)cn1
InChIInChI=1S/C18H18N4O2S/c1-12-2-4-15(11-19-12)24-14-6-8-22(9-7-14)18(23)13-3-5-16-17(10-13)21-25-20-16/h2-5,10-11,14H,6-9H2,1H3
InChIKeyPRAWBCLJIBUINE-UHFFFAOYSA-N
XLogP3.08
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440
2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
CID 122160856
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566406
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (CID 90566474) is 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3ccc4nsnc4c3)CC2)cn1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is PRAWBCLJIBUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-2-4-15(11-19-12)24-14-6-8-22(9-7-14)18(23)13-3-5-16-17(10-13)21-25-20-16/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 90566474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).