1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone

C17H23N3O3 — CID 84579499

IUPAC1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CC(N3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-6-8-19(9-7-18)15-11-20(12-15)17(22)14-4-3-5-16(10-14)23-2/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyOKLBKMSOXMWEOQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.68
Rot. Bonds3

About 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone

1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 84579499) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
PubChem CID84579499
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CC(N3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-6-8-19(9-7-18)15-11-20(12-15)17(22)14-4-3-5-16(10-14)23-2/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyOKLBKMSOXMWEOQ-UHFFFAOYSA-N
XLogP0.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582046
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-methoxyphenyl)methanone
CID 121153325
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone (CID 84579499) is 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CC(N3CCN(C(C)=O)CC3)C2)c1.
What is the InChIKey of 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is OKLBKMSOXMWEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)18-6-8-19(9-7-18)15-11-20(12-15)17(22)14-4-3-5-16(10-14)23-2/h3-5,10,15H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 84579499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).