2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone

C18H26N2O3 — CID 120817845

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H26N2O3/c1-12(21)13-5-6-15(23-4)14(9-13)10-17(22)20-8-7-16(19)18(2,3)11-20/h5-6,9,16H,7-8,10-11,19H2,1-4H3
InChIKeyUIRRTGJAZMUMBK-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.03
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 120817845) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
PubChem CID120817845
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H26N2O3/c1-12(21)13-5-6-15(23-4)14(9-13)10-17(22)20-8-7-16(19)18(2,3)11-20/h5-6,9,16H,7-8,10-11,19H2,1-4H3
InChIKeyUIRRTGJAZMUMBK-UHFFFAOYSA-N
XLogP2.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 120815207
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloro-2-methoxyanilino)ethanone;dihydrochloride
CID 120813930
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
CID 120814212

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone (CID 120817845) is 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is UIRRTGJAZMUMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(21)13-5-6-15(23-4)14(9-13)10-17(22)20-8-7-16(19)18(2,3)11-20/h5-6,9,16H,7-8,10-11,19H2,1-4H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.03, 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-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 120817845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).