[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C16H16FN3O3 — CID 91770097

IUPAC[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C16H16FN3O3/c17-11-3-4-14(21)12(10-11)15(22)19-6-8-20(9-7-19)16(23)13-2-1-5-18-13/h1-5,10,18,21H,6-9H2
InChIKeyNQRQLLREORTEAF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.46
Rot. Bonds2

About [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 91770097) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID91770097
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C16H16FN3O3/c17-11-3-4-14(21)12(10-11)15(22)19-6-8-20(9-7-19)16(23)13-2-1-5-18-13/h1-5,10,18,21H,6-9H2
InChIKeyNQRQLLREORTEAF-UHFFFAOYSA-N
XLogP1.46
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 91770097) is [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCN(C(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is NQRQLLREORTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-11-3-4-14(21)12(10-11)15(22)19-6-8-20(9-7-19)16(23)13-2-1-5-18-13/h1-5,10,18,21H,6-9H2.
What are the key properties of [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 317.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 91770097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).