2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one

C19H28N2O3 — CID 110818064

IUPAC2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-15(5-2)19(23)21-12-10-20(11-13-21)18(22)14-16-8-6-7-9-17(16)24-3/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeySWGQJTWFVGAZGV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.34
Rot. Bonds6

About 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one (PubChem CID 110818064) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
PubChem CID110818064
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-15(5-2)19(23)21-12-10-20(11-13-21)18(22)14-16-8-6-7-9-17(16)24-3/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeySWGQJTWFVGAZGV-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[4-[2-(4-methoxy-2,3-dimethylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110801838
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110818045
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110797926
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564611
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one (CID 110818064) is 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1.
What is the InChIKey of 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The InChIKey is SWGQJTWFVGAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-15(5-2)19(23)21-12-10-20(11-13-21)18(22)14-16-8-6-7-9-17(16)24-3/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110818064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).