1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone

C17H20N2O2S — CID 90566395

IUPAC1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3cccs3)CC2)cn1
InChIInChI=1S/C17H20N2O2S/c1-13-4-5-15(12-18-13)21-14-6-8-19(9-7-14)17(20)11-16-3-2-10-22-16/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeySYUQEPSAVRFQAQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 90566395) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID90566395
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3cccs3)CC2)cn1
InChIInChI=1S/C17H20N2O2S/c1-13-4-5-15(12-18-13)21-14-6-8-19(9-7-14)17(20)11-16-3-2-10-22-16/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeySYUQEPSAVRFQAQ-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone 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 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 90566395) is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1ccc(OC2CCN(C(=O)Cc3cccs3)CC2)cn1.
What is the InChIKey of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is SYUQEPSAVRFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-4-5-15(12-18-13)21-14-6-8-19(9-7-14)17(20)11-16-3-2-10-22-16/h2-5,10,12,14H,6-9,11H2,1H3.
What are the key properties of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 316.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 90566395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).