1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

C20H26FN5O — CID 24792990

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H26FN5O/c21-18-6-1-2-7-19(18)24-13-11-23(12-14-24)17-5-3-9-25(15-17)20(27)16-26-10-4-8-22-26/h1-2,4,6-8,10,17H,3,5,9,11-16H2
InChIKeyRSIHQHJNACHSKT-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 24792990) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID24792990
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H26FN5O/c21-18-6-1-2-7-19(18)24-13-11-23(12-14-24)17-5-3-9-25(15-17)20(27)16-26-10-4-8-22-26/h1-2,4,6-8,10,17H,3,5,9,11-16H2
InChIKeyRSIHQHJNACHSKT-UHFFFAOYSA-N
XLogP1.84
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone 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 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 24792990) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is RSIHQHJNACHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-18-6-1-2-7-19(18)24-13-11-23(12-14-24)17-5-3-9-25(15-17)20(27)16-26-10-4-8-22-26/h1-2,4,6-8,10,17H,3,5,9,11-16H2.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 371.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 24792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).