1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one

C22H24N4O — CID 72938198

IUPAC1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
SMILESCc1nc(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C22H24N4O/c1-17-23-20(25-24-17)13-15-26-16-22(14-12-21(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,25)
InChIKeyXICODDLZRPQIMF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one

1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one (PubChem CID 72938198) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
PubChem CID72938198
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
SMILESCc1nc(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C22H24N4O/c1-17-23-20(25-24-17)13-15-26-16-22(14-12-21(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,25)
InChIKeyXICODDLZRPQIMF-UHFFFAOYSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
2-benzyl-9-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70713337
5-methyl-3-(1-phenylcyclopropyl)-1H-1,2,4-triazole
CID 62879883
9-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72841227
4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one
CID 72838828
1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
CID 97113843
1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one
CID 97130378
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-2-one
CID 97131675
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
1-[3-(methoxymethyl)-3-phenylazetidin-1-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 138036087
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
1-[(4S,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 56912608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one (CID 72938198) is 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one is Cc1nc(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n[nH]1.
What is the InChIKey of 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one?
The InChIKey is XICODDLZRPQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-23-20(25-24-17)13-15-26-16-22(14-12-21(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,23,24,25).
What are the key properties of 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one?
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 72938198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).