5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one

C13H17FN2O — CID 55246811

IUPAC5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
SMILESCC(NC1CCC(=O)NC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)16-12-5-6-13(17)15-8-12/h2-4,7,9,12,16H,5-6,8H2,1H3,(H,15,17)
InChIKeyFCGOPPNCENYSJN-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.75
Rot. Bonds3

About 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one

5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one (PubChem CID 55246811) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
PubChem CID55246811
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
SMILESCC(NC1CCC(=O)NC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)16-12-5-6-13(17)15-8-12/h2-4,7,9,12,16H,5-6,8H2,1H3,(H,15,17)
InChIKeyFCGOPPNCENYSJN-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 63662418
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one (CID 55246811) is 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one is CC(NC1CCC(=O)NC1)c1cccc(F)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one?
The InChIKey is FCGOPPNCENYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)16-12-5-6-13(17)15-8-12/h2-4,7,9,12,16H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one?
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 55246811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).