N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide

C21H24N6O — CID 46228601

IUPACN-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C21H24N6O/c1-17(28)22-18-7-9-21(10-8-18)27-16-19(23-24-27)15-25-11-13-26(14-12-25)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,22,28)
InChIKeyCPFQNXKICZNUDF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.55
Rot. Bonds5

About N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide

N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide (PubChem CID 46228601) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide
PubChem CID46228601
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C21H24N6O/c1-17(28)22-18-7-9-21(10-8-18)27-16-19(23-24-27)15-25-11-13-26(14-12-25)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,22,28)
InChIKeyCPFQNXKICZNUDF-UHFFFAOYSA-N
XLogP2.55
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide (CID 46228601) is N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1.
What is the InChIKey of N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide?
The InChIKey is CPFQNXKICZNUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-17(28)22-18-7-9-21(10-8-18)27-16-19(23-24-27)15-25-11-13-26(14-12-25)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,22,28).
What are the key properties of N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide?
N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 46228601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).