1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one

C14H15NO2 — CID 66395152

IUPAC1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2Cc3ccccc32)CC1
InChIInChI=1S/C14H15NO2/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)13/h1-4,13H,5-9H2
InChIKeyDROCDUYBGBRPHO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.52
Rot. Bonds1

About 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one

1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one (PubChem CID 66395152) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
PubChem CID66395152
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2Cc3ccccc32)CC1
InChIInChI=1S/C14H15NO2/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)13/h1-4,13H,5-9H2
InChIKeyDROCDUYBGBRPHO-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80677432
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66395557
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839103
3-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperazin-1-yl]propanoic acid
CID 66396669
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66396346
1-[4-[4-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 95777136
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546555
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid
CID 66394346
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 65262352

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one?
The IUPAC name of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one (CID 66395152) is 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one is O=C1CCN(C(=O)C2Cc3ccccc32)CC1.
What is the InChIKey of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one?
The InChIKey is DROCDUYBGBRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)13/h1-4,13H,5-9H2.
What are the key properties of 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one?
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one is sourced from PubChem (CID 66395152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).