(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone

C19H22N4O4S — CID 119103125

IUPAC(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1
InChIInChI=1S/C19H22N4O4S/c1-21-16-7-3-4-8-17(16)23(28(21,25)26)14-9-12-22(13-10-14)19(24)15-6-5-11-20-18(15)27-2/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeySRCQGMDRECBQGH-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.90
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119103125) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID119103125
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1
InChIInChI=1S/C19H22N4O4S/c1-21-16-7-3-4-8-17(16)23(28(21,25)26)14-9-12-22(13-10-14)19(24)15-6-5-11-20-18(15)27-2/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeySRCQGMDRECBQGH-UHFFFAOYSA-N
XLogP1.90
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 119103166
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
ethyl 4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
CID 119103137
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone (CID 119103125) is (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SRCQGMDRECBQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-21-16-7-3-4-8-17(16)23(28(21,25)26)14-9-12-22(13-10-14)19(24)15-6-5-11-20-18(15)27-2/h3-8,11,14H,9-10,12-13H2,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 402.48 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119103125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).