2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H24FN3O — CID 53147960

IUPAC2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O/c1-15(2)21-10-12-22(13-11-21)19(24)14-18-4-3-9-23(18)17-7-5-16(20)6-8-17/h3-9,15H,10-14H2,1-2H3
InChIKeyDJZJIZOWURACFG-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 53147960) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID53147960
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O/c1-15(2)21-10-12-22(13-11-21)19(24)14-18-4-3-9-23(18)17-7-5-16(20)6-8-17/h3-9,15H,10-14H2,1-2H3
InChIKeyDJZJIZOWURACFG-UHFFFAOYSA-N
XLogP2.71
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 53147960) is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DJZJIZOWURACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-15(2)21-10-12-22(13-11-21)19(24)14-18-4-3-9-23(18)17-7-5-16(20)6-8-17/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 329.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53147960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).