8-piperazin-1-ylchromen-7-one

C13H14N2O2 — CID 57161677

IUPAC8-piperazin-1-ylchromen-7-one
SMILESO=c1ccc2cccoc-2c1N1CCNCC1
InChIInChI=1S/C13H14N2O2/c16-11-4-3-10-2-1-9-17-13(10)12(11)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2
InChIKeyIKCDDDAHTHBVDT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.15
Rot. Bonds1

About 8-piperazin-1-ylchromen-7-one

8-piperazin-1-ylchromen-7-one (PubChem CID 57161677) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 8-piperazin-1-ylchromen-7-one.

Molecular Properties

Compound Name8-piperazin-1-ylchromen-7-one
PubChem CID57161677
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name8-piperazin-1-ylchromen-7-one
SMILESO=c1ccc2cccoc-2c1N1CCNCC1
InChIInChI=1S/C13H14N2O2/c16-11-4-3-10-2-1-9-17-13(10)12(11)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2
InChIKeyIKCDDDAHTHBVDT-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[4-(furan-2-yl)phenyl]piperazin-2-one
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7,8-dihydro-6H-pentaleno[1,2-b]pyran
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2-phenylfuran;piperazine
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(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
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3-fluoro-2-piperazin-1-ylbenzaldehyde
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2-methylfuran;1-piperazin-1-ylethanone
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6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile
CID 10221371
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[4-(furan-2-yl)phenyl]piperazine-1-carboxylate;1-[4-(furan-2-yl)phenyl]piperazine
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2-(furan-2-yl)-2-piperazin-1-ylacetic acid
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Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-ylchromen-7-one?
The IUPAC name of 8-piperazin-1-ylchromen-7-one (CID 57161677) is 8-piperazin-1-ylchromen-7-one.
What is the SMILES notation for 8-piperazin-1-ylchromen-7-one?
The canonical SMILES for 8-piperazin-1-ylchromen-7-one is O=c1ccc2cccoc-2c1N1CCNCC1.
What is the InChIKey of 8-piperazin-1-ylchromen-7-one?
The InChIKey is IKCDDDAHTHBVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-4-3-10-2-1-9-17-13(10)12(11)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2.
What are the key properties of 8-piperazin-1-ylchromen-7-one?
8-piperazin-1-ylchromen-7-one has a molecular weight of 230.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-ylchromen-7-one is sourced from PubChem (CID 57161677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).