1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone

C19H24FN3O — CID 122189366

IUPAC1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O/c1-16(24)19-4-2-10-23(19)11-3-9-21-12-14-22(15-13-21)18-7-5-17(20)6-8-18/h2,4-8,10H,3,9,11-15H2,1H3
InChIKeyVQSIMAVXVYWHGT-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.04
Rot. Bonds6

About 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone

1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone (PubChem CID 122189366) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone
PubChem CID122189366
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O/c1-16(24)19-4-2-10-23(19)11-3-9-21-12-14-22(15-13-21)18-7-5-17(20)6-8-18/h2,4-8,10H,3,9,11-15H2,1H3
InChIKeyVQSIMAVXVYWHGT-UHFFFAOYSA-N
XLogP3.04
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone (CID 122189366) is 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone is CC(=O)c1cccn1CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone?
The InChIKey is VQSIMAVXVYWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-16(24)19-4-2-10-23(19)11-3-9-21-12-14-22(15-13-21)18-7-5-17(20)6-8-18/h2,4-8,10H,3,9,11-15H2,1H3.
What are the key properties of 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone?
1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrol-2-yl]ethanone is sourced from PubChem (CID 122189366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).