(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone

C21H25FN4O — CID 52978390

IUPAC(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN4O/c22-18-8-6-17(7-9-18)20-19(14-23-24-20)21(27)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9,19-20,23-24H,10-15H2
InChIKeyKUVKBEDFMCYQBW-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.94
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone (PubChem CID 52978390) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
PubChem CID52978390
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN4O/c22-18-8-6-17(7-9-18)20-19(14-23-24-20)21(27)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9,19-20,23-24H,10-15H2
InChIKeyKUVKBEDFMCYQBW-UHFFFAOYSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 134057149
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 52978396
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52986939
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
(1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1149453
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74775038
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(4-benzylpiperazin-1-yl)-[(3S,5R)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 92997366
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
(4-benzylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 113241095

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone (CID 52978390) is (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone is O=C(C1CNNC1c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone?
The InChIKey is KUVKBEDFMCYQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-8-6-17(7-9-18)20-19(14-23-24-20)21(27)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9,19-20,23-24H,10-15H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone is sourced from PubChem (CID 52978390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).