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

C20H24N2O3 — CID 125014143

IUPAC2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC[C@H](Cc3ccccn3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-7-9-19(10-8-18)25-15-20(23)22-12-4-5-16(14-22)13-17-6-2-3-11-21-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m1/s1
InChIKeyWKAGATCXZDFQAW-MRXNPFEDSA-N
MW340.42 g/mol
LogP2.95
Rot. Bonds6

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

2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 125014143) 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-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID125014143
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC[C@H](Cc3ccccn3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-7-9-19(10-8-18)25-15-20(23)22-12-4-5-16(14-22)13-17-6-2-3-11-21-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m1/s1
InChIKeyWKAGATCXZDFQAW-MRXNPFEDSA-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

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Related Compounds

2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90641186

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 125014143) is 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is COc1ccc(OCC(=O)N2CCC[C@H](Cc3ccccn3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is WKAGATCXZDFQAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-7-9-19(10-8-18)25-15-20(23)22-12-4-5-16(14-22)13-17-6-2-3-11-21-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-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-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125014143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).