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

C21H24FN5O3 — CID 1469848

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H24FN5O3/c1-29-16-4-6-20(30-2)18(12-16)23-21(28)13-26-9-7-15(8-10-26)27-19-5-3-14(22)11-17(19)24-25-27/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyMGMOQUGEPKWIJB-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.86
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469848) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469848
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H24FN5O3/c1-29-16-4-6-20(30-2)18(12-16)23-21(28)13-26-9-7-15(8-10-26)27-19-5-3-14(22)11-17(19)24-25-27/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyMGMOQUGEPKWIJB-UHFFFAOYSA-N
XLogP2.86
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]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 N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469848) is N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is MGMOQUGEPKWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-29-16-4-6-20(30-2)18(12-16)23-21(28)13-26-9-7-15(8-10-26)27-19-5-3-14(22)11-17(19)24-25-27/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).