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

C18H24N4O2 — CID 53192792

IUPAC(2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C18H24N4O2/c1-3-10-22-13-19-20-17(22)14-7-6-11-21(12-14)18(23)15-8-4-5-9-16(15)24-2/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyYFFLIRFSPORJQF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.72
Rot. Bonds5

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

(2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192792) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192792
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C18H24N4O2/c1-3-10-22-13-19-20-17(22)14-7-6-11-21(12-14)18(23)15-8-4-5-9-16(15)24-2/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyYFFLIRFSPORJQF-UHFFFAOYSA-N
XLogP2.72
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192792) is (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCCn1cnnc1C1CCCN(C(=O)c2ccccc2OC)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is YFFLIRFSPORJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-10-22-13-19-20-17(22)14-7-6-11-21(12-14)18(23)15-8-4-5-9-16(15)24-2/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).