2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone

C16H22N2O4 — CID 110368777

IUPAC2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(C)=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-12(19)18-8-6-17(7-9-18)11-14(20)13-4-5-15(21-2)16(10-13)22-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPWVQXQTUKIJQND-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.05
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone

2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 110368777) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID110368777
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(C)=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-12(19)18-8-6-17(7-9-18)11-14(20)13-4-5-15(21-2)16(10-13)22-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPWVQXQTUKIJQND-UHFFFAOYSA-N
XLogP1.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 3674711
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone (CID 110368777) is 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCN(C(C)=O)CC2)cc1OC.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is PWVQXQTUKIJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)18-8-6-17(7-9-18)11-14(20)13-4-5-15(21-2)16(10-13)22-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone?
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 110368777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).