2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

C20H22FN5O2 — CID 652680

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H22FN5O2/c1-28-19-5-3-2-4-16(19)22-20(27)13-25-10-8-15(9-11-25)26-18-7-6-14(21)12-17(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)
InChIKeyZSDGAINOGMRYMO-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 652680) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID652680
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H22FN5O2/c1-28-19-5-3-2-4-16(19)22-20(27)13-25-10-8-15(9-11-25)26-18-7-6-14(21)12-17(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)
InChIKeyZSDGAINOGMRYMO-UHFFFAOYSA-N
XLogP2.85
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(Benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
CID 133001
2H-Benzotriazole, 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-
CID 577725
1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10090259
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 646800
2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 649329
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-(5-chloro-2-methoxy-phenyl)-acetamide
CID 650080
4-(5-Methyl-benzotriazol-1-yl)-piperidine-1-carboxylic acid (2-ethoxy-phenyl)-amide
CID 651324
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 653943
1-(2-Methoxy-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 893629
4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 1469535
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10021763
1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10042704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 652680) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZSDGAINOGMRYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-28-19-5-3-2-4-16(19)22-20(27)13-25-10-8-15(9-11-25)26-18-7-6-14(21)12-17(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 383.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 652680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).