2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C19H26N4O2 — CID 53192581

IUPAC2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-9-23-14-20-21-19(23)16-7-10-22(11-8-16)18(24)13-15-5-4-6-17(12-15)25-2/h4-6,12,14,16H,3,7-11,13H2,1-2H3
InChIKeyOZRKCACVTBFWOS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192581) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192581
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-9-23-14-20-21-19(23)16-7-10-22(11-8-16)18(24)13-15-5-4-6-17(12-15)25-2/h4-6,12,14,16H,3,7-11,13H2,1-2H3
InChIKeyOZRKCACVTBFWOS-UHFFFAOYSA-N
XLogP2.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192581) is 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCCn1cnnc1C1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is OZRKCACVTBFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-9-23-14-20-21-19(23)16-7-10-22(11-8-16)18(24)13-15-5-4-6-17(12-15)25-2/h4-6,12,14,16H,3,7-11,13H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).