2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

C20H24N2O3 — CID 125024467

IUPAC2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC[C@H](Cc3cccnc3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-6-8-19(9-7-18)25-15-20(23)22-11-3-5-17(14-22)12-16-4-2-10-21-13-16/h2,4,6-10,13,17H,3,5,11-12,14-15H2,1H3/t17-/m1/s1
InChIKeyZFUATTNTLPIVMF-QGZVFWFLSA-N
MW340.42 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 125024467) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
PubChem CID125024467
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC[C@H](Cc3cccnc3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-6-8-19(9-7-18)25-15-20(23)22-11-3-5-17(14-22)12-16-4-2-10-21-13-16/h2,4,6-10,13,17H,3,5,11-12,14-15H2,1H3/t17-/m1/s1
InChIKeyZFUATTNTLPIVMF-QGZVFWFLSA-N
XLogP2.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (CID 125024467) is 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is COc1ccc(OCC(=O)N2CCC[C@H](Cc3cccnc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is ZFUATTNTLPIVMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-6-8-19(9-7-18)25-15-20(23)22-11-3-5-17(14-22)12-16-4-2-10-21-13-16/h2,4,6-10,13,17H,3,5,11-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125024467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).