2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

C20H22FN5O2 — CID 1469851

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C20H22FN5O2/c1-28-17-4-2-3-15(12-17)22-20(27)13-25-9-7-16(8-10-25)26-19-6-5-14(21)11-18(19)23-24-26/h2-6,11-12,16H,7-10,13H2,1H3,(H,22,27)
InChIKeyOCEBOTRNDSRKQX-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 1469851) 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-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID1469851
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C20H22FN5O2/c1-28-17-4-2-3-15(12-17)22-20(27)13-25-9-7-16(8-10-25)26-19-6-5-14(21)11-18(19)23-24-26/h2-6,11-12,16H,7-10,13H2,1H3,(H,22,27)
InChIKeyOCEBOTRNDSRKQX-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 1469851) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OCEBOTRNDSRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-28-17-4-2-3-15(12-17)22-20(27)13-25-9-7-16(8-10-25)26-19-6-5-14(21)11-18(19)23-24-26/h2-6,11-12,16H,7-10,13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 1469851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).