1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one

C15H24N2O2 — CID 173070843

IUPAC1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,19-3)14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h5,7-8H,4,6,9-12H2,1-3H3
InChIKeyLHLMNCGVYMGGIS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds3

About 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one

1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 173070843) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID173070843
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,19-3)14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h5,7-8H,4,6,9-12H2,1-3H3
InChIKeyLHLMNCGVYMGGIS-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one with MolForge

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol
CID 173071004
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103017482
2-methoxy-2-methyl-1-(1,4-thiazepan-4-yl)propan-1-one
CID 103652319
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
3-[4-[(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)methyl]phenyl]-N-hydroxy-2-methylpropanamide
CID 143411638
1-[4-(4-amino-4-methoxycyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanone
CID 150739677
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
ethyl 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole-5-carboxylate
CID 71137589

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one (CID 173070843) is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is LHLMNCGVYMGGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,19-3)14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h5,7-8H,4,6,9-12H2,1-3H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 173070843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).