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

C16H21N3O3 — CID 84582046

IUPAC1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(C(=O)c3cccc(O)c3)C2)CC1
InChIInChI=1S/C16H21N3O3/c1-12(20)17-5-7-18(8-6-17)14-10-19(11-14)16(22)13-3-2-4-15(21)9-13/h2-4,9,14,21H,5-8,10-11H2,1H3
InChIKeyAFSIORRYDLPEGT-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.38
Rot. Bonds2

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

1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 84582046) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
PubChem CID84582046
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(C(=O)c3cccc(O)c3)C2)CC1
InChIInChI=1S/C16H21N3O3/c1-12(20)17-5-7-18(8-6-17)14-10-19(11-14)16(22)13-3-2-4-15(21)9-13/h2-4,9,14,21H,5-8,10-11H2,1H3
InChIKeyAFSIORRYDLPEGT-UHFFFAOYSA-N
XLogP0.38
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
CID 84582108
1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582681
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone (CID 84582046) is 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CN(C(=O)c3cccc(O)c3)C2)CC1.
What is the InChIKey of 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is AFSIORRYDLPEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)17-5-7-18(8-6-17)14-10-19(11-14)16(22)13-3-2-4-15(21)9-13/h2-4,9,14,21H,5-8,10-11H2,1H3.
What are the key properties of 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 303.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 84582046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).