2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone

C18H24N2O3 — CID 71936525

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)14-3-6-17(23-2)15(11-14)12-18(22)20-9-7-19(8-10-20)16-4-5-16/h3,6,11,16H,4-5,7-10,12H2,1-2H3
InChIKeyFPSMHDSXZJLQAJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds5

About 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone (PubChem CID 71936525) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
PubChem CID71936525
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)14-3-6-17(23-2)15(11-14)12-18(22)20-9-7-19(8-10-20)16-4-5-16/h3,6,11,16H,4-5,7-10,12H2,1-2H3
InChIKeyFPSMHDSXZJLQAJ-UHFFFAOYSA-N
XLogP1.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845
1-[1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidin-3-yl]imidazolidin-2-one
CID 136579529
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
2-(5-acetyl-2-methoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120824262
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone (CID 71936525) is 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone?
The InChIKey is FPSMHDSXZJLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)14-3-6-17(23-2)15(11-14)12-18(22)20-9-7-19(8-10-20)16-4-5-16/h3,6,11,16H,4-5,7-10,12H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71936525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).