1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone

C15H19N3O3 — CID 66195384

IUPAC1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H19N3O3/c19-15(11-1-2-13-14(7-11)21-10-20-13)18-8-12(9-18)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8-10H2
InChIKeyIIEBOAHVUBVLIE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.14
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone

1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66195384) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66195384
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H19N3O3/c19-15(11-1-2-13-14(7-11)21-10-20-13)18-8-12(9-18)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8-10H2
InChIKeyIIEBOAHVUBVLIE-UHFFFAOYSA-N
XLogP0.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103209579
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119278638
3-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017222
(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203198
(3-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202818
(7-chloro-1,3-benzodioxol-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995174
1,3-benzodioxol-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 11776063
N-[2-methyl-4-(piperazine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 23828275
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
1,3-benzodioxol-5-yl-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methanone
CID 70744758

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66195384) is 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is IIEBOAHVUBVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(11-1-2-13-14(7-11)21-10-20-13)18-8-12(9-18)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8-10H2.
What are the key properties of 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone?
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66195384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).