(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H20N4O — CID 110194764

IUPAC(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCCC2c2n[nH]c(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-5-7-13(10-11)16(21)20-9-4-3-8-14(20)15-17-12(2)18-19-15/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCNAGEQCVCUJEIF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds2

About (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 110194764) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID110194764
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCCC2c2n[nH]c(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-5-7-13(10-11)16(21)20-9-4-3-8-14(20)15-17-12(2)18-19-15/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCNAGEQCVCUJEIF-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491284
(3-methylbenzotriazol-5-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491275
(6-methyl-3-pyridinyl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491309
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491287
[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 128969712
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969682
(2,8-dimethylquinolin-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 119064930
1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one
CID 138009146
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
(1-methylindazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 87052010

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 110194764) is (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCCC2c2n[nH]c(C)n2)c1.
What is the InChIKey of (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is CNAGEQCVCUJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-5-7-13(10-11)16(21)20-9-4-3-8-14(20)15-17-12(2)18-19-15/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110194764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).