3-piperazin-1-ylchromen-4-one

C13H14N2O2 — CID 142793533

IUPAC3-piperazin-1-ylchromen-4-one
SMILESO=c1c(N2CCNCC2)coc2ccccc12
InChIInChI=1S/C13H14N2O2/c16-13-10-3-1-2-4-12(10)17-9-11(13)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2
InChIKeyAJHVRBNRRXFFGH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.20
Rot. Bonds1

About 3-piperazin-1-ylchromen-4-one

3-piperazin-1-ylchromen-4-one (PubChem CID 142793533) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-piperazin-1-ylchromen-4-one.

Molecular Properties

Compound Name3-piperazin-1-ylchromen-4-one
PubChem CID142793533
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-piperazin-1-ylchromen-4-one
SMILESO=c1c(N2CCNCC2)coc2ccccc12
InChIInChI=1S/C13H14N2O2/c16-13-10-3-1-2-4-12(10)17-9-11(13)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2
InChIKeyAJHVRBNRRXFFGH-UHFFFAOYSA-N
XLogP1.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
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1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
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1-benzofuran-3-yl(piperazin-1-yl)methanamine
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1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
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1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
CID 143974471
CID 143974471
3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 53236084
7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one
CID 14988193
benzene;3-hydroxychromen-4-one
CID 175480795
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylchromen-4-one?
The IUPAC name of 3-piperazin-1-ylchromen-4-one (CID 142793533) is 3-piperazin-1-ylchromen-4-one.
What is the SMILES notation for 3-piperazin-1-ylchromen-4-one?
The canonical SMILES for 3-piperazin-1-ylchromen-4-one is O=c1c(N2CCNCC2)coc2ccccc12.
What is the InChIKey of 3-piperazin-1-ylchromen-4-one?
The InChIKey is AJHVRBNRRXFFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13-10-3-1-2-4-12(10)17-9-11(13)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2.
What are the key properties of 3-piperazin-1-ylchromen-4-one?
3-piperazin-1-ylchromen-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylchromen-4-one is sourced from PubChem (CID 142793533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).