2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide

C23H25FN4O2 — CID 90595794

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3cc(-c4ccc(F)cc4)cn3)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-30-22-10-12-27(13-11-22)21-8-6-20(7-9-21)26-23(29)16-28-15-18(14-25-28)17-2-4-19(24)5-3-17/h2-9,14-15,22H,10-13,16H2,1H3,(H,26,29)
InChIKeyRXRYAJMGFZCFGQ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.94
Rot. Bonds6

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 90595794) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID90595794
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3cc(-c4ccc(F)cc4)cn3)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-30-22-10-12-27(13-11-22)21-8-6-20(7-9-21)26-23(29)16-28-15-18(14-25-28)17-2-4-19(24)5-3-17/h2-9,14-15,22H,10-13,16H2,1H3,(H,26,29)
InChIKeyRXRYAJMGFZCFGQ-UHFFFAOYSA-N
XLogP3.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90595882
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
CID 90595771
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide (CID 90595794) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide is COC1CCN(c2ccc(NC(=O)Cn3cc(-c4ccc(F)cc4)cn3)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is RXRYAJMGFZCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-22-10-12-27(13-11-22)21-8-6-20(7-9-21)26-23(29)16-28-15-18(14-25-28)17-2-4-19(24)5-3-17/h2-9,14-15,22H,10-13,16H2,1H3,(H,26,29).
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 90595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).