2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C15H21NO2 — CID 176781017

IUPAC2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-10-16(12)15(17)11-13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVNEGKQYNILEFBB-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 176781017) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID176781017
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-10-16(12)15(17)11-13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVNEGKQYNILEFBB-GFCCVEGCSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-(4-methoxyphenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82246398
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530
1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 129480992
2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 176781017) is 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC[C@H]2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is VNEGKQYNILEFBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-5-3-4-10-16(12)15(17)11-13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 176781017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).