1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C17H20N4O — CID 10827788

IUPAC1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9H,7,10-14H2
InChIKeyPEUZJVQWTJDZOY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.87
Rot. Bonds5

About 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 10827788) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID10827788
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9H,7,10-14H2
InChIKeyPEUZJVQWTJDZOY-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 10827788) is 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is PEUZJVQWTJDZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9H,7,10-14H2.
What are the key properties of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10827788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).