4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

C18H23FN2O2 — CID 6493312

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-7-13(2)10-20(9-12)18(23)14-8-17(22)21(11-14)16-5-3-15(19)4-6-16/h3-6,12-14H,7-11H2,1-2H3
InChIKeyIJQYMAVJTWBNDZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.68
Rot. Bonds2

About 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 6493312) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID6493312
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-7-13(2)10-20(9-12)18(23)14-8-17(22)21(11-14)16-5-3-15(19)4-6-16/h3-6,12-14H,7-11H2,1-2H3
InChIKeyIJQYMAVJTWBNDZ-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 250855
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
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4-Fluoroisobutyryl fentanyl
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Ortho-fluorobutyryl fentanyl
CID 129522102
Ortho-fluoroisobutyryl fentanyl
CID 137699946
1-Cyclopropanecarbonyl-4-(4-fluorophenyl)piperazine
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N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 2900552
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
Meta-fluoroisobutyryl fentanyl
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1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 6493312) is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is CC1CC(C)CN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is IJQYMAVJTWBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-7-13(2)10-20(9-12)18(23)14-8-17(22)21(11-14)16-5-3-15(19)4-6-16/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 6493312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).