N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide

C17H18FN7O — CID 133417199

IUPACN-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ncnc3nc[nH]c23)CC1)Nc1ccccc1F
InChIInChI=1S/C17H18FN7O/c18-12-3-1-2-4-13(12)23-14(26)9-24-5-7-25(8-6-24)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,23,26)(H,19,20,21,22)
InChIKeyHNGPTNUBIJNCEW-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.25
Rot. Bonds4

About N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide (PubChem CID 133417199) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
PubChem CID133417199
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC NameN-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ncnc3nc[nH]c23)CC1)Nc1ccccc1F
InChIInChI=1S/C17H18FN7O/c18-12-3-1-2-4-13(12)23-14(26)9-24-5-7-25(8-6-24)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,23,26)(H,19,20,21,22)
InChIKeyHNGPTNUBIJNCEW-UHFFFAOYSA-N
XLogP1.25
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide (CID 133417199) is N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ncnc3nc[nH]c23)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is HNGPTNUBIJNCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c18-12-3-1-2-4-13(12)23-14(26)9-24-5-7-25(8-6-24)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,23,26)(H,19,20,21,22).
What are the key properties of N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 355.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133417199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).