3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione

C15H16N2O4 — CID 18676063

IUPAC3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione
SMILESNOc1c(Oc2ccccc2N2CCCCC2)c(=O)c1=O
InChIInChI=1S/C15H16N2O4/c16-21-15-13(19)12(18)14(15)20-11-7-3-2-6-10(11)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9,16H2
InChIKeyKCSZEMYBABKXHK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.32
Rot. Bonds4

About 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione

3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione (PubChem CID 18676063) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione
PubChem CID18676063
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione
SMILESNOc1c(Oc2ccccc2N2CCCCC2)c(=O)c1=O
InChIInChI=1S/C15H16N2O4/c16-21-15-13(19)12(18)14(15)20-11-7-3-2-6-10(11)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9,16H2
InChIKeyKCSZEMYBABKXHK-UHFFFAOYSA-N
XLogP1.32
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 143665772
4-(2-phenoxyphenyl)morpholine
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1-(2-butoxyphenyl)pyrrolidine
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2-[5,9-bis(7-oxocyclohepta-1,3,5-trien-1-yl)-1,5,9-triazacyclododec-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13008013
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
1-(2-phenoxyphenyl)piperazine
CID 12996705
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666

Frequently Asked Questions

What is the IUPAC name of 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione (CID 18676063) is 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione is NOc1c(Oc2ccccc2N2CCCCC2)c(=O)c1=O.
What is the InChIKey of 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione?
The InChIKey is KCSZEMYBABKXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-21-15-13(19)12(18)14(15)20-11-7-3-2-6-10(11)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9,16H2.
What are the key properties of 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione?
3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione has a molecular weight of 288.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-4-(2-piperidin-1-ylphenoxy)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 18676063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).