1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

C19H23FN2O — CID 675432

IUPAC1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyRYIVINSSPOAIBA-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.90
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 675432) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
PubChem CID675432
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyRYIVINSSPOAIBA-UHFFFAOYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (CID 675432) is 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is RYIVINSSPOAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 314.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 675432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).