4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

C19H26FN5O3 — CID 120643078

IUPAC4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCOCCOCc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccc1F
InChIInChI=1S/C19H26FN5O3/c1-25-19(22-17(24-25)13-5-7-21-8-6-13)23-18(26)14-3-4-16(20)15(11-14)12-28-10-9-27-2/h3-4,11,13,21H,5-10,12H2,1-2H3,(H,22,23,24,26)
InChIKeyLUQGPOSARWHAOS-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.84
Rot. Bonds8

About 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (PubChem CID 120643078) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
PubChem CID120643078
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCOCCOCc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccc1F
InChIInChI=1S/C19H26FN5O3/c1-25-19(22-17(24-25)13-5-7-21-8-6-13)23-18(26)14-3-4-16(20)15(11-14)12-28-10-9-27-2/h3-4,11,13,21H,5-10,12H2,1-2H3,(H,22,23,24,26)
InChIKeyLUQGPOSARWHAOS-UHFFFAOYSA-N
XLogP1.84
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (CID 120643078) is 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is COCCOCc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccc1F.
What is the InChIKey of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LUQGPOSARWHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-25-19(22-17(24-25)13-5-7-21-8-6-13)23-18(26)14-3-4-16(20)15(11-14)12-28-10-9-27-2/h3-4,11,13,21H,5-10,12H2,1-2H3,(H,22,23,24,26).
What are the key properties of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 120643078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).