[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone

C17H22N4O — CID 110875671

IUPAC[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCCc1nncn1C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-3-16-19-18-12-21(16)15-8-10-20(11-9-15)17(22)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyGUZGGZNSOWEAGH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.63
Rot. Bonds3

About [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone

[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 110875671) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID110875671
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCCc1nncn1C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-3-16-19-18-12-21(16)15-8-10-20(11-9-15)17(22)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyGUZGGZNSOWEAGH-UHFFFAOYSA-N
XLogP2.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91914710
(3,4-diethoxyphenyl)-[3-(3-ethyl-1,2,4-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 71837182
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 91914661
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 46704929
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 110875671) is [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone is CCc1nncn1C1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is GUZGGZNSOWEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-16-19-18-12-21(16)15-8-10-20(11-9-15)17(22)14-6-4-13(2)5-7-14/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110875671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).