N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide

C18H20FN5O2 — CID 75474239

IUPACN-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn[nH]c1C1CCCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C18H20FN5O2/c1-26-11-17(25)22-15-9-21-23-18(15)12-4-3-7-24(10-12)16-6-2-5-14(19)13(16)8-20/h2,5-6,9,12H,3-4,7,10-11H2,1H3,(H,21,23)(H,22,25)
InChIKeyDSRARCLEDKMJES-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.39
Rot. Bonds5

About N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide

N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide (PubChem CID 75474239) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
PubChem CID75474239
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn[nH]c1C1CCCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C18H20FN5O2/c1-26-11-17(25)22-15-9-21-23-18(15)12-4-3-7-24(10-12)16-6-2-5-14(19)13(16)8-20/h2,5-6,9,12H,3-4,7,10-11H2,1H3,(H,21,23)(H,22,25)
InChIKeyDSRARCLEDKMJES-UHFFFAOYSA-N
XLogP2.39
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide 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 N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide (CID 75474239) is N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide is COCC(=O)Nc1cn[nH]c1C1CCCN(c2cccc(F)c2C#N)C1.
What is the InChIKey of N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide?
The InChIKey is DSRARCLEDKMJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-26-11-17(25)22-15-9-21-23-18(15)12-4-3-7-24(10-12)16-6-2-5-14(19)13(16)8-20/h2,5-6,9,12H,3-4,7,10-11H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide?
N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide has a molecular weight of 357.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 75474239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).