1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

C20H24FN3O2 — CID 110802364

IUPAC1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(C)n1C
InChIInChI=1S/C20H24FN3O2/c1-14-11-17(15(2)22(14)3)13-19(25)23-7-9-24(10-8-23)20(26)16-5-4-6-18(21)12-16/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyKLUHKPGOZNPFIU-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.31
Rot. Bonds3

About 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110802364) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110802364
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(C)n1C
InChIInChI=1S/C20H24FN3O2/c1-14-11-17(15(2)22(14)3)13-19(25)23-7-9-24(10-8-23)20(26)16-5-4-6-18(21)12-16/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyKLUHKPGOZNPFIU-UHFFFAOYSA-N
XLogP2.31
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110814922
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110807993
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110808027
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
2-(3,4-dimethylphenyl)-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110808116
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664
2-thiophen-2-yl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110802602
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110802364) is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(C)n1C.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is KLUHKPGOZNPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-11-17(15(2)22(14)3)13-19(25)23-7-9-24(10-8-23)20(26)16-5-4-6-18(21)12-16/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110802364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).