1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one

C18H23FN2O2 — CID 24816833

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c19-16-5-3-4-14(12-16)8-11-21-13-15(6-7-17(21)22)18(23)20-9-1-2-10-20/h3-5,12,15H,1-2,6-11,13H2
InChIKeyIQGDGQKEQUTLGP-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one

1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 24816833) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID24816833
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c19-16-5-3-4-14(12-16)8-11-21-13-15(6-7-17(21)22)18(23)20-9-1-2-10-20/h3-5,12,15H,1-2,6-11,13H2
InChIKeyIQGDGQKEQUTLGP-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
1-(2-Fluorobenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine oxalate
CID 2933676
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
cyclobutyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489826
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
1-(2-Phenylethyl)-3-piperidinecarboxamide
CID 2845828
4-[(4-Benzylpiperidin-1-yl)carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 3243190
cis-1-Methyl-5-(phenylethynyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 42631007
2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 489827
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one (CID 24816833) is 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCC2)CN1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is IQGDGQKEQUTLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-5-3-4-14(12-16)8-11-21-13-15(6-7-17(21)22)18(23)20-9-1-2-10-20/h3-5,12,15H,1-2,6-11,13H2.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24816833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).