2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone

C16H22N2O3 — CID 119469990

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCNCC1C
InChIInChI=1S/C16H22N2O3/c1-11-10-17-6-7-18(11)16(20)9-14-8-13(12(2)19)4-5-15(14)21-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyYNTPPLJIZAPGHX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.26
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119469990) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119469990
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCNCC1C
InChIInChI=1S/C16H22N2O3/c1-11-10-17-6-7-18(11)16(20)9-14-8-13(12(2)19)4-5-15(14)21-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyYNTPPLJIZAPGHX-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone (CID 119469990) is 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCNCC1C.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is YNTPPLJIZAPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-10-17-6-7-18(11)16(20)9-14-8-13(12(2)19)4-5-15(14)21-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.26, 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-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119469990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).