2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C20H24N2O2 — CID 175652372

IUPAC2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-3-2-8-17(19)14-20(23)22-12-6-7-16(15-22)13-18-9-4-5-11-21-18/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyBWRGVLARMVIVFI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 175652372) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID175652372
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-3-2-8-17(19)14-20(23)22-12-6-7-16(15-22)13-18-9-4-5-11-21-18/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyBWRGVLARMVIVFI-UHFFFAOYSA-N
XLogP3.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124981984

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 175652372) is 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is BWRGVLARMVIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-3-2-8-17(19)14-20(23)22-12-6-7-16(15-22)13-18-9-4-5-11-21-18/h2-5,8-11,16H,6-7,12-15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 175652372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).