5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

C18H18ClN3O4 — CID 18142945

IUPAC5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C18H18ClN3O4/c19-16-13(10-20-21-18(16)24)22-5-3-11(4-6-22)17(23)12-1-2-14-15(9-12)26-8-7-25-14/h1-2,9-11H,3-8H2,(H,21,24)
InChIKeyGYZPTTGMOXEFIG-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 18142945) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID18142945
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C18H18ClN3O4/c19-16-13(10-20-21-18(16)24)22-5-3-11(4-6-22)17(23)12-1-2-14-15(9-12)26-8-7-25-14/h1-2,9-11H,3-8H2,(H,21,24)
InChIKeyGYZPTTGMOXEFIG-UHFFFAOYSA-N
XLogP2.29
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one
CID 24679779
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one
CID 138038486
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133369997
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044226
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044416
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-4-yl)methanone
CID 24688672
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 25482181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 18142945) is 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is O=C(c1ccc2c(c1)OCCO2)C1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GYZPTTGMOXEFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-16-13(10-20-21-18(16)24)22-5-3-11(4-6-22)17(23)12-1-2-14-15(9-12)26-8-7-25-14/h1-2,9-11H,3-8H2,(H,21,24).
What are the key properties of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 375.81 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 18142945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).