6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one

C21H27N3O2 — CID 24995679

IUPAC6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
InChIKeyDEYIRRKKIBYJGX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds4

About 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one

6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one (PubChem CID 24995679) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one
PubChem CID24995679
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
InChIKeyDEYIRRKKIBYJGX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one (CID 24995679) is 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O.
What is the InChIKey of 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one?
The InChIKey is DEYIRRKKIBYJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3.
What are the key properties of 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one?
6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one has a molecular weight of 353.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 24995679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).