4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide

C20H20FN5O2 — CID 137299344

IUPAC4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nn(-c3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H20FN5O2/c21-15-6-8-17(9-7-15)26-20(28)23-18(24-26)14-10-12-25(13-11-14)19(27)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,27)(H,23,24,28)
InChIKeyXWWALZTZTIEHNT-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.11
Rot. Bonds3

About 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide

4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 137299344) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID137299344
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nn(-c3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H20FN5O2/c21-15-6-8-17(9-7-15)26-20(28)23-18(24-26)14-10-12-25(13-11-14)19(27)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,27)(H,23,24,28)
InChIKeyXWWALZTZTIEHNT-UHFFFAOYSA-N
XLogP3.11
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea
CID 2360016
2-(4-chlorophenyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4H-1,2,4-triazol-3-one
CID 137299385
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299324
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 137299337
5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299492
N1,N4-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11292679
N-benzyl-4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 71793141
1-(3-(4-((4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)piperidin-1-yl)-3-oxopropyl)pyrimidine-2,4(1H,3H)-dione
CID 91628668
3-oxo-N-phenyl-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791834
7-benzyl-2-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792129
2-(2,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792743
5-(1-benzoylpiperidin-4-yl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 137299390

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide (CID 137299344) is 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(c2nn(-c3ccc(F)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is XWWALZTZTIEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-15-6-8-17(9-7-15)26-20(28)23-18(24-26)14-10-12-25(13-11-14)19(27)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,27)(H,23,24,28).
What are the key properties of 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide?
4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 137299344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).