[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone

C19H20FN5O3 — CID 129356166

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C[C@@H](O)c2ccco2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN5O3/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(27)16-12-25(22-21-16)13-17(26)18-2-1-11-28-18/h1-6,11-12,17,26H,7-10,13H2/t17-/m1/s1
InChIKeyVAQHKFXARYKPKE-QGZVFWFLSA-N
MW385.40 g/mol
LogP1.71
Rot. Bonds5

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone (PubChem CID 129356166) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone
PubChem CID129356166
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C[C@@H](O)c2ccco2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN5O3/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(27)16-12-25(22-21-16)13-17(26)18-2-1-11-28-18/h1-6,11-12,17,26H,7-10,13H2/t17-/m1/s1
InChIKeyVAQHKFXARYKPKE-QGZVFWFLSA-N
XLogP1.71
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
1-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxylic acid
CID 56771392
(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone (CID 129356166) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone is O=C(c1cn(C[C@@H](O)c2ccco2)nn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone?
The InChIKey is VAQHKFXARYKPKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FN5O3/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(27)16-12-25(22-21-16)13-17(26)18-2-1-11-28-18/h1-6,11-12,17,26H,7-10,13H2/t17-/m1/s1.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone has a molecular weight of 385.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone is sourced from PubChem (CID 129356166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).