2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone

C17H22N4O2S — CID 122160856

IUPAC2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)C1
InChIInChI=1S/C17H22N4O2S/c1-23-14-6-9-21(11-14)13-4-7-20(8-5-13)17(22)12-2-3-15-16(10-12)19-24-18-15/h2-3,10,13-14H,4-9,11H2,1H3
InChIKeyRZLAHSWBFHQULO-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.02
Rot. Bonds3

About 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone (PubChem CID 122160856) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
PubChem CID122160856
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)C1
InChIInChI=1S/C17H22N4O2S/c1-23-14-6-9-21(11-14)13-4-7-20(8-5-13)17(22)12-2-3-15-16(10-12)19-24-18-15/h2-3,10,13-14H,4-9,11H2,1H3
InChIKeyRZLAHSWBFHQULO-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616553
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
CID 90616401
2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566474
2,1,3-benzothiadiazol-5-yl-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891901
2,1,3-benzothiadiazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566856
2,1,3-benzothiadiazol-5-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190446
2,1,3-benzothiadiazol-5-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 72720368
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
2,1,3-benzothiadiazol-5-yl-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 124761297
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone (CID 122160856) is 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)C1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is RZLAHSWBFHQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-23-14-6-9-21(11-14)13-4-7-20(8-5-13)17(22)12-2-3-15-16(10-12)19-24-18-15/h2-3,10,13-14H,4-9,11H2,1H3.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 2.02, 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-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122160856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).