N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C20H22FN5O — CID 1469735

IUPACN-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)13-20(27)22-16-5-3-15(21)4-6-16/h2-7,12,17H,8-11,13H2,1H3,(H,22,27)
InChIKeyDVQFMOMMZMCNPQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.15
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469735) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469735
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)13-20(27)22-16-5-3-15(21)4-6-16/h2-7,12,17H,8-11,13H2,1H3,(H,22,27)
InChIKeyDVQFMOMMZMCNPQ-UHFFFAOYSA-N
XLogP3.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-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-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469735) is N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is DVQFMOMMZMCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)13-20(27)22-16-5-3-15(21)4-6-16/h2-7,12,17H,8-11,13H2,1H3,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).