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

C17H22N4O — CID 72913001

IUPAC5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
SMILESCc1nc(CCN2CC(C)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-18-15(20-19-13)9-11-21-12-17(2,10-8-16(21)22)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,19,20)
InChIKeyKIUWHGHKQIHMTH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.24
Rot. Bonds4

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

5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one (PubChem CID 72913001) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
PubChem CID72913001
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
SMILESCc1nc(CCN2CC(C)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-18-15(20-19-13)9-11-21-12-17(2,10-8-16(21)22)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,19,20)
InChIKeyKIUWHGHKQIHMTH-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one 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-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
CID 72938198
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
2-benzyl-9-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70713337
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
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
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one?
The IUPAC name of 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one (CID 72913001) is 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one.
What is the SMILES notation for 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one?
The canonical SMILES for 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one is Cc1nc(CCN2CC(C)(c3ccccc3)CCC2=O)n[nH]1.
What is the InChIKey of 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one?
The InChIKey is KIUWHGHKQIHMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-18-15(20-19-13)9-11-21-12-17(2,10-8-16(21)22)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,19,20).
What are the key properties of 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one?
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one is sourced from PubChem (CID 72913001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).