5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide

C17H23N5O2 — CID 169403538

IUPAC5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCC1CCCN(CCOc2ccc(-c3n[nH]nc3C(N)=O)cc2)C1
InChIInChI=1S/C17H23N5O2/c1-12-3-2-8-22(11-12)9-10-24-14-6-4-13(5-7-14)15-16(17(18)23)20-21-19-15/h4-7,12H,2-3,8-11H2,1H3,(H2,18,23)(H,19,20,21)
InChIKeyNVEWQBHHEIYZCL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.68
Rot. Bonds6

About 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide

5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403538) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403538
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCC1CCCN(CCOc2ccc(-c3n[nH]nc3C(N)=O)cc2)C1
InChIInChI=1S/C17H23N5O2/c1-12-3-2-8-22(11-12)9-10-24-14-6-4-13(5-7-14)15-16(17(18)23)20-21-19-15/h4-7,12H,2-3,8-11H2,1H3,(H2,18,23)(H,19,20,21)
InChIKeyNVEWQBHHEIYZCL-UHFFFAOYSA-N
XLogP1.68
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403538) is 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide is CC1CCCN(CCOc2ccc(-c3n[nH]nc3C(N)=O)cc2)C1.
What is the InChIKey of 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is NVEWQBHHEIYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-3-2-8-22(11-12)9-10-24-14-6-4-13(5-7-14)15-16(17(18)23)20-21-19-15/h4-7,12H,2-3,8-11H2,1H3,(H2,18,23)(H,19,20,21).
What are the key properties of 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).