N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide

C18H19FN4O2 — CID 9021819

IUPACN-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c19-15-3-5-16(6-4-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-2-1-7-20-12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyRHFKEGZPGWTXCL-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.62
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 9021819) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID9021819
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c19-15-3-5-16(6-4-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-2-1-7-20-12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyRHFKEGZPGWTXCL-UHFFFAOYSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 9021819) is N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RHFKEGZPGWTXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-15-3-5-16(6-4-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-2-1-7-20-12-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9021819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).