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

C23H27FN6O2 — CID 645201

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H27FN6O2/c24-17-5-6-22-20(15-17)26-27-30(22)18-7-9-28(10-8-18)16-23(31)25-19-3-1-2-4-21(19)29-11-13-32-14-12-29/h1-6,15,18H,7-14,16H2,(H,25,31)
InChIKeyMBGUTPDVXPCUFZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.68
Rot. Bonds5

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

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 645201) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID645201
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H27FN6O2/c24-17-5-6-22-20(15-17)26-27-30(22)18-7-9-28(10-8-18)16-23(31)25-19-3-1-2-4-21(19)29-11-13-32-14-12-29/h1-6,15,18H,7-14,16H2,(H,25,31)
InChIKeyMBGUTPDVXPCUFZ-UHFFFAOYSA-N
XLogP2.68
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 645201) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is MBGUTPDVXPCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c24-17-5-6-22-20(15-17)26-27-30(22)18-7-9-28(10-8-18)16-23(31)25-19-3-1-2-4-21(19)29-11-13-32-14-12-29/h1-6,15,18H,7-14,16H2,(H,25,31).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 645201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).