2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

C17H25N3O2S — CID 72717290

IUPAC2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)CSC3CCCC3)CC2)nn1
InChIInChI=1S/C17H25N3O2S/c1-13-6-7-16(19-18-13)22-14-8-10-20(11-9-14)17(21)12-23-15-4-2-3-5-15/h6-7,14-15H,2-5,8-12H2,1H3
InChIKeyIUPVIDLRJNCATL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.83
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (PubChem CID 72717290) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
PubChem CID72717290
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)CSC3CCCC3)CC2)nn1
InChIInChI=1S/C17H25N3O2S/c1-13-6-7-16(19-18-13)22-14-8-10-20(11-9-14)17(21)12-23-15-4-2-3-5-15/h6-7,14-15H,2-5,8-12H2,1H3
InChIKeyIUPVIDLRJNCATL-UHFFFAOYSA-N
XLogP2.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (CID 72717290) is 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is Cc1ccc(OC2CCN(C(=O)CSC3CCCC3)CC2)nn1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is IUPVIDLRJNCATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-6-7-16(19-18-13)22-14-8-10-20(11-9-14)17(21)12-23-15-4-2-3-5-15/h6-7,14-15H,2-5,8-12H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 335.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 72717290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).