[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone

C17H22FN3O2 — CID 142266464

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C17H22FN3O2/c1-19-7-6-13(12-19)16(22)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3
InChIKeyXOPFVWCBWYIDCV-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.06
Rot. Bonds2

About [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 142266464) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
PubChem CID142266464
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C17H22FN3O2/c1-19-7-6-13(12-19)16(22)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3
InChIKeyXOPFVWCBWYIDCV-UHFFFAOYSA-N
XLogP1.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
1-[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 78850383
[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
cyclohex-3-en-1-yl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850162
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone (CID 142266464) is [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone is CN1CCC(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is XOPFVWCBWYIDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-19-7-6-13(12-19)16(22)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 319.38 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 142266464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).