1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone

C18H24FN3O3 — CID 110108552

IUPAC1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCC(=O)N1CCN([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)CC1
InChIInChI=1S/C18H24FN3O3/c1-13(23)20-5-7-21(8-6-20)16-11-22(12-17(16)24)18(25)10-14-3-2-4-15(19)9-14/h2-4,9,16-17,24H,5-8,10-12H2,1H3/t16-,17-/m1/s1
InChIKeyFOXIXGYLJUHYMC-IAGOWNOFSA-N
MW349.41 g/mol
LogP0.10
Rot. Bonds3

About 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 110108552) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID110108552
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCC(=O)N1CCN([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)CC1
InChIInChI=1S/C18H24FN3O3/c1-13(23)20-5-7-21(8-6-20)16-11-22(12-17(16)24)18(25)10-14-3-2-4-15(19)9-14/h2-4,9,16-17,24H,5-8,10-12H2,1H3/t16-,17-/m1/s1
InChIKeyFOXIXGYLJUHYMC-IAGOWNOFSA-N
XLogP0.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 155996536
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113075538
(4aS,8aR)-6-[2-(3-fluorophenyl)acetyl]-4-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110135701

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 110108552) is 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone is CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)CC1.
What is the InChIKey of 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is FOXIXGYLJUHYMC-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-13(23)20-5-7-21(8-6-20)16-11-22(12-17(16)24)18(25)10-14-3-2-4-15(19)9-14/h2-4,9,16-17,24H,5-8,10-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 349.41 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 110108552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).