5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

C19H22N4O3 — CID 2812277

IUPAC5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c24-17(13-16(14-18(25)26)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2,(H,25,26)
InChIKeyLRIYBXFUWYWNAR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.77
Rot. Bonds6

About 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 2812277) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID2812277
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c24-17(13-16(14-18(25)26)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2,(H,25,26)
InChIKeyLRIYBXFUWYWNAR-UHFFFAOYSA-N
XLogP1.77
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (CID 2812277) is 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is O=C(O)CC(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is LRIYBXFUWYWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(13-16(14-18(25)26)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2,(H,25,26).
What are the key properties of 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 2812277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).