[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone

C22H21FN4O2 — CID 89491755

IUPAC[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
SMILESO=C(c1nccnc1-c1ccncc1)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-3-1-16(2-4-18)15-22(29)7-13-27(14-8-22)21(28)20-19(25-11-12-26-20)17-5-9-24-10-6-17/h1-6,9-12,29H,7-8,13-15H2
InChIKeyKBVMHPZIIHCFQT-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.89
Rot. Bonds4

About [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone

[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone (PubChem CID 89491755) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
PubChem CID89491755
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
SMILESO=C(c1nccnc1-c1ccncc1)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-3-1-16(2-4-18)15-22(29)7-13-27(14-8-22)21(28)20-19(25-11-12-26-20)17-5-9-24-10-6-17/h1-6,9-12,29H,7-8,13-15H2
InChIKeyKBVMHPZIIHCFQT-UHFFFAOYSA-N
XLogP2.89
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-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-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone (CID 89491755) is [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone is O=C(c1nccnc1-c1ccncc1)N1CCC(O)(Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone?
The InChIKey is KBVMHPZIIHCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-3-1-16(2-4-18)15-22(29)7-13-27(14-8-22)21(28)20-19(25-11-12-26-20)17-5-9-24-10-6-17/h1-6,9-12,29H,7-8,13-15H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone?
[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone has a molecular weight of 392.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 89491755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).