(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one

C22H22FN3O3 — CID 92709241

IUPAC(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)n1cccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H22FN3O3/c23-18-7-5-17(6-8-18)19(24-9-1-2-10-24)16-21(27)25-11-13-26(14-12-25)22(28)20-4-3-15-29-20/h1-10,15,19H,11-14,16H2/t19-/m1/s1
InChIKeyNGYNNEQJMMAKCQ-LJQANCHMSA-N
MW395.43 g/mol
LogP3.18
Rot. Bonds5

About (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one

(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one (PubChem CID 92709241) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
PubChem CID92709241
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)n1cccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H22FN3O3/c23-18-7-5-17(6-8-18)19(24-9-1-2-10-24)16-21(27)25-11-13-26(14-12-25)22(28)20-4-3-15-29-20/h1-10,15,19H,11-14,16H2/t19-/m1/s1
InChIKeyNGYNNEQJMMAKCQ-LJQANCHMSA-N
XLogP3.18
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342737
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[1-(4-fluorophenyl)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 51170789
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111168585
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111168584
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one (CID 92709241) is (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one is O=C(C[C@H](c1ccc(F)cc1)n1cccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The InChIKey is NGYNNEQJMMAKCQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-7-5-17(6-8-18)19(24-9-1-2-10-24)16-21(27)25-11-13-26(14-12-25)22(28)20-4-3-15-29-20/h1-10,15,19H,11-14,16H2/t19-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one has a molecular weight of 395.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 92709241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).