ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one

C15H18FNO2 — CID 67568721

IUPACethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
SMILESC=C.Cc1ccc(C(=O)N2CCC(=O)CC2)cc1F
InChIInChI=1S/C13H14FNO2.C2H4/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15;1-2/h2-3,8H,4-7H2,1H3;1-2H2
InChIKeyOERRSUXBIOOMAP-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.74
Rot. Bonds1

About ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one

ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one (PubChem CID 67568721) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one.

Molecular Properties

Compound Nameethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
PubChem CID67568721
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nameethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
SMILESC=C.Cc1ccc(C(=O)N2CCC(=O)CC2)cc1F
InChIInChI=1S/C13H14FNO2.C2H4/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15;1-2/h2-3,8H,4-7H2,1H3;1-2H2
InChIKeyOERRSUXBIOOMAP-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 55025671
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 60505637
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769
1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
CID 112548248
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877

Frequently Asked Questions

What is the IUPAC name of ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one?
The IUPAC name of ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one (CID 67568721) is ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one.
What is the SMILES notation for ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one?
The canonical SMILES for ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one is C=C.Cc1ccc(C(=O)N2CCC(=O)CC2)cc1F.
What is the InChIKey of ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one?
The InChIKey is OERRSUXBIOOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2.C2H4/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15;1-2/h2-3,8H,4-7H2,1H3;1-2H2.
What are the key properties of ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one?
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one has a molecular weight of 263.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one is sourced from PubChem (CID 67568721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).