1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide

C16H24FN3O — CID 43283894

IUPAC1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
SMILESCCNC(C)c1ccc(N2CCCC(C(N)=O)C2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-19-11(2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21)
InChIKeySAHVQXKAEADXMM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide

1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide (PubChem CID 43283894) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
PubChem CID43283894
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
SMILESCCNC(C)c1ccc(N2CCCC(C(N)=O)C2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-19-11(2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21)
InChIKeySAHVQXKAEADXMM-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283969
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide (CID 43283894) is 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide is CCNC(C)c1ccc(N2CCCC(C(N)=O)C2)c(F)c1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide?
The InChIKey is SAHVQXKAEADXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-19-11(2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21).
What are the key properties of 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide?
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43283894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).