(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C20H26FN3O2 — CID 53150658

IUPAC(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H26FN3O2/c1-2-24-12-8-19(22-24)20(25)23-10-6-16(7-11-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-5,8,12,14,16H,2,6-7,9-11,13,15H2,1H3
InChIKeyNCZKMFVBOZHUTI-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.50
Rot. Bonds7

About (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53150658) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53150658
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H26FN3O2/c1-2-24-12-8-19(22-24)20(25)23-10-6-16(7-11-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-5,8,12,14,16H,2,6-7,9-11,13,15H2,1H3
InChIKeyNCZKMFVBOZHUTI-UHFFFAOYSA-N
XLogP3.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-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 (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53150658) is (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is NCZKMFVBOZHUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-2-24-12-8-19(22-24)20(25)23-10-6-16(7-11-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-5,8,12,14,16H,2,6-7,9-11,13,15H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).