[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone

C28H33FN4O2 — CID 141241377

IUPAC[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1ccc(C2CC(c3cc(-c4cccc(F)c4)n[nH]3)CN(C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C28H33FN4O2/c1-2-19-6-8-20(9-7-19)22-14-23(18-33(17-22)28(35)32-12-10-25(34)11-13-32)27-16-26(30-31-27)21-4-3-5-24(29)15-21/h3-9,15-16,22-23,25,34H,2,10-14,17-18H2,1H3,(H,30,31)
InChIKeyRMVUGZBPXVFJNW-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.93
Rot. Bonds4

About [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone

[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 141241377) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID141241377
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1ccc(C2CC(c3cc(-c4cccc(F)c4)n[nH]3)CN(C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C28H33FN4O2/c1-2-19-6-8-20(9-7-19)22-14-23(18-33(17-22)28(35)32-12-10-25(34)11-13-32)27-16-26(30-31-27)21-4-3-5-24(29)15-21/h3-9,15-16,22-23,25,34H,2,10-14,17-18H2,1H3,(H,30,31)
InChIKeyRMVUGZBPXVFJNW-UHFFFAOYSA-N
XLogP4.93
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-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 [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 141241377) is [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is CCc1ccc(C2CC(c3cc(-c4cccc(F)c4)n[nH]3)CN(C(=O)N3CCC(O)CC3)C2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is RMVUGZBPXVFJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-2-19-6-8-20(9-7-19)22-14-23(18-33(17-22)28(35)32-12-10-25(34)11-13-32)27-16-26(30-31-27)21-4-3-5-24(29)15-21/h3-9,15-16,22-23,25,34H,2,10-14,17-18H2,1H3,(H,30,31).
What are the key properties of [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 476.60 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 141241377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).