(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

C20H24N2O3 — CID 71799554

IUPAC(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C20H24N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22-13-11-16(12-14-22)25-19-10-6-7-15(2)21-19/h4-10,16H,3,11-14H2,1-2H3
InChIKeyPXYATSPIZLAOQU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds5

About (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 71799554) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID71799554
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C20H24N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22-13-11-16(12-14-22)25-19-10-6-7-15(2)21-19/h4-10,16H,3,11-14H2,1-2H3
InChIKeyPXYATSPIZLAOQU-UHFFFAOYSA-N
XLogP3.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(3-Methoxyphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 71799554) is (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(Oc2cccc(C)n2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is PXYATSPIZLAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22-13-11-16(12-14-22)25-19-10-6-7-15(2)21-19/h4-10,16H,3,11-14H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71799554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).