3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one

C21H24N4O2 — CID 56748677

IUPAC3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CC2CCN(Cc3ccc(O)cc3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c26-19-8-6-17(7-9-19)15-24-12-10-16(11-13-24)14-20-22-23-21(27)25(20)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2,(H,23,27)
InChIKeyDWBKLSLGKBWHQT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.72
Rot. Bonds5

About 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one

3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one (PubChem CID 56748677) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
PubChem CID56748677
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CC2CCN(Cc3ccc(O)cc3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c26-19-8-6-17(7-9-19)15-24-12-10-16(11-13-24)14-20-22-23-21(27)25(20)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2,(H,23,27)
InChIKeyDWBKLSLGKBWHQT-UHFFFAOYSA-N
XLogP2.72
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56708911
4-phenyl-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 50966934
4-phenyl-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazol-5-one
CID 139238180
2-methyl-5-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56711505
4-ethyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56861483
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
CID 19881633
2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56719785
3-[[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]methyl]-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one
CID 91628737
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one (CID 56748677) is 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CC2CCN(Cc3ccc(O)cc3)CC2)n1-c1ccccc1.
What is the InChIKey of 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one?
The InChIKey is DWBKLSLGKBWHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-19-8-6-17(7-9-19)15-24-12-10-16(11-13-24)14-20-22-23-21(27)25(20)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2,(H,23,27).
What are the key properties of 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one?
3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one has a molecular weight of 364.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56748677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).