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3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

C18H24N4O2 — CID 51077909

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCC(c3nncn3C)C2)c1
InChIInChI=1S/C18H24N4O2/c1-21-13-19-20-18(21)15-6-4-10-22(12-15)17(23)9-8-14-5-3-7-16(11-14)24-2/h3,5,7,11,13,15H,4,6,8-10,12H2,1-2H3
InChIKeyCPUMGBSFTDKBDP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 51077909) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID51077909
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCC(c3nncn3C)C2)c1
InChIInChI=1S/C18H24N4O2/c1-21-13-19-20-18(21)15-6-4-10-22(12-15)17(23)9-8-14-5-3-7-16(11-14)24-2/h3,5,7,11,13,15H,4,6,8-10,12H2,1-2H3
InChIKeyCPUMGBSFTDKBDP-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (CID 51077909) is 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCCC(c3nncn3C)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CPUMGBSFTDKBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-19-20-18(21)15-6-4-10-22(12-15)17(23)9-8-14-5-3-7-16(11-14)24-2/h3,5,7,11,13,15H,4,6,8-10,12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51077909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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