2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

C20H23FN4O2 — CID 53161555

IUPAC2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23FN4O2/c1-15(23-19(26)14-16-5-4-6-17(21)13-16)20(27)25-11-9-24(10-12-25)18-7-2-3-8-22-18/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeySYXRPMZXTNCIAL-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.62
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 53161555) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID53161555
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23FN4O2/c1-15(23-19(26)14-16-5-4-6-17(21)13-16)20(27)25-11-9-24(10-12-25)18-7-2-3-8-22-18/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeySYXRPMZXTNCIAL-UHFFFAOYSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (CID 53161555) is 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is CC(NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is SYXRPMZXTNCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-15(23-19(26)14-16-5-4-6-17(21)13-16)20(27)25-11-9-24(10-12-25)18-7-2-3-8-22-18/h2-8,13,15H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 53161555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).