2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone

C16H22N2O3 — CID 119377136

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC(N)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)13(8-12)9-16(20)18-7-3-4-14(17)10-18/h5-6,8,14H,3-4,7,9-10,17H2,1-2H3
InChIKeyOVKVNEYIVDWOPR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.39
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone (PubChem CID 119377136) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
PubChem CID119377136
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC(N)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)13(8-12)9-16(20)18-7-3-4-14(17)10-18/h5-6,8,14H,3-4,7,9-10,17H2,1-2H3
InChIKeyOVKVNEYIVDWOPR-UHFFFAOYSA-N
XLogP1.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
1-[1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidin-3-yl]imidazolidin-2-one
CID 136579529
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
1-(3-aminopiperidin-1-yl)-2-(3-bromo-4-methoxyphenyl)ethanone;hydrochloride
CID 176516116
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 43422284
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730
1-(3-aminopiperidin-1-yl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119378228

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone (CID 119377136) is 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCCC(N)C1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone?
The InChIKey is OVKVNEYIVDWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)13(8-12)9-16(20)18-7-3-4-14(17)10-18/h5-6,8,14H,3-4,7,9-10,17H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone is sourced from PubChem (CID 119377136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).