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

C25H24FN5O2 — CID 3229064

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24FN5O2/c26-18-6-11-24-23(16-18)28-29-31(24)20-12-14-30(15-13-20)17-25(32)27-19-7-9-22(10-8-19)33-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17H2,(H,27,32)
InChIKeyMVJPCLURIXZRHL-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.64
Rot. Bonds6

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

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 3229064) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID3229064
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24FN5O2/c26-18-6-11-24-23(16-18)28-29-31(24)20-12-14-30(15-13-20)17-25(32)27-19-7-9-22(10-8-19)33-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17H2,(H,27,32)
InChIKeyMVJPCLURIXZRHL-UHFFFAOYSA-N
XLogP4.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 3229064) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is MVJPCLURIXZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-18-6-11-24-23(16-18)28-29-31(24)20-12-14-30(15-13-20)17-25(32)27-19-7-9-22(10-8-19)33-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17H2,(H,27,32).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 445.50 g/mol, XLogP of 4.64, 6 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-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 3229064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).