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

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Related Compounds

N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343926
2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343992
2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474520
(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343505
N-[5-[(3R)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 97344485
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
CID 47018174
2-fluoro-6-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397854
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474205
2-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 137247998

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).