(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

C18H24N4O2 — CID 91914722

IUPAC(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(n3cnnc3COC)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-3-14-4-6-15(7-5-14)18(23)21-10-8-16(9-11-21)22-13-19-20-17(22)12-24-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyMPOAZOAOLGNUOW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds5

About (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (PubChem CID 91914722) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
PubChem CID91914722
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(n3cnnc3COC)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-3-14-4-6-15(7-5-14)18(23)21-10-8-16(9-11-21)22-13-19-20-17(22)12-24-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyMPOAZOAOLGNUOW-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (CID 91914722) is (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(n3cnnc3COC)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is MPOAZOAOLGNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-14-4-6-15(7-5-14)18(23)21-10-8-16(9-11-21)22-13-19-20-17(22)12-24-2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91914722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).