1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone

C18H25N3O3 — CID 84579645

IUPAC1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(N3CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-7-9-20(10-8-19)16-12-21(13-16)18(23)11-15-3-5-17(24-2)6-4-15/h3-6,16H,7-13H2,1-2H3
InChIKeyWSKIOHKAFGABTR-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.61
Rot. Bonds4

About 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 84579645) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID84579645
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(N3CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-7-9-20(10-8-19)16-12-21(13-16)18(23)11-15-3-5-17(24-2)6-4-15/h3-6,16H,7-13H2,1-2H3
InChIKeyWSKIOHKAFGABTR-UHFFFAOYSA-N
XLogP0.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154692
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 84579645) is 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC(N3CCN(C(C)=O)CC3)C2)cc1.
What is the InChIKey of 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is WSKIOHKAFGABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)19-7-9-20(10-8-19)16-12-21(13-16)18(23)11-15-3-5-17(24-2)6-4-15/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 331.42 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 84579645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).