2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

C18H26N2O2S — CID 72717356

IUPAC2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C18H26N2O2S/c1-14-5-4-8-17(19-14)22-15-9-11-20(12-10-15)18(21)13-23-16-6-2-3-7-16/h4-5,8,15-16H,2-3,6-7,9-13H2,1H3
InChIKeyAEPLBPSMOSOHSO-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.44
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 72717356) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID72717356
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C18H26N2O2S/c1-14-5-4-8-17(19-14)22-15-9-11-20(12-10-15)18(21)13-23-16-6-2-3-7-16/h4-5,8,15-16H,2-3,6-7,9-13H2,1H3
InChIKeyAEPLBPSMOSOHSO-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 72717356) is 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is Cc1cccc(OC2CCN(C(=O)CSC3CCCC3)CC2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is AEPLBPSMOSOHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-5-4-8-17(19-14)22-15-9-11-20(12-10-15)18(21)13-23-16-6-2-3-7-16/h4-5,8,15-16H,2-3,6-7,9-13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 334.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 72717356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).