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

C16H20N4O2 — CID 53192162

IUPAC(3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3n[nH]c(C)n3)C2)c1
InChIInChI=1S/C16H20N4O2/c1-11-17-15(19-18-11)13-6-4-8-20(10-13)16(21)12-5-3-7-14(9-12)22-2/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,17,18,19)
InChIKeySBHDGLZKNNYMQY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.14
Rot. Bonds3

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

(3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192162) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192162
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3n[nH]c(C)n3)C2)c1
InChIInChI=1S/C16H20N4O2/c1-11-17-15(19-18-11)13-6-4-8-20(10-13)16(21)12-5-3-7-14(9-12)22-2/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,17,18,19)
InChIKeySBHDGLZKNNYMQY-UHFFFAOYSA-N
XLogP2.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192162) is (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCC(c3n[nH]c(C)n3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SBHDGLZKNNYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-17-15(19-18-11)13-6-4-8-20(10-13)16(21)12-5-3-7-14(9-12)22-2/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).