5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one

C21H27N3O2 — CID 57392651

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-20(14-21(25)23(2)22-15)16-6-8-18(9-7-16)26-19-10-12-24(13-11-19)17-4-3-5-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeySKZKJYKQFCIOPF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.15
Rot. Bonds4

About 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one

5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one (PubChem CID 57392651) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one
PubChem CID57392651
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-20(14-21(25)23(2)22-15)16-6-8-18(9-7-16)26-19-10-12-24(13-11-19)17-4-3-5-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeySKZKJYKQFCIOPF-UHFFFAOYSA-N
XLogP3.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one (CID 57392651) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one is Cc1nn(C)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one?
The InChIKey is SKZKJYKQFCIOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-20(14-21(25)23(2)22-15)16-6-8-18(9-7-16)26-19-10-12-24(13-11-19)17-4-3-5-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one?
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one has a molecular weight of 353.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 57392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).