2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide

C18H17FN4O3 — CID 53063672

IUPAC2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)Nc1ccccn1
InChIInChI=1S/C18H17FN4O3/c19-14-6-4-13(5-7-14)11-22-9-10-23(18(26)17(22)25)12-16(24)21-15-3-1-2-8-20-15/h1-8H,9-12H2,(H,20,21,24)
InChIKeyHQHCXQZMAHJCGH-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.03
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 53063672) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID53063672
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)Nc1ccccn1
InChIInChI=1S/C18H17FN4O3/c19-14-6-4-13(5-7-14)11-22-9-10-23(18(26)17(22)25)12-16(24)21-15-3-1-2-8-20-15/h1-8H,9-12H2,(H,20,21,24)
InChIKeyHQHCXQZMAHJCGH-UHFFFAOYSA-N
XLogP1.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide (CID 53063672) is 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)Nc1ccccn1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is HQHCXQZMAHJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-14-6-4-13(5-7-14)11-22-9-10-23(18(26)17(22)25)12-16(24)21-15-3-1-2-8-20-15/h1-8H,9-12H2,(H,20,21,24).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 356.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 53063672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).