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

C17H20N4O2 — CID 8010973

IUPAC3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15-5-2-1-4-14(15)6-7-16(23)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h1-5,8-9,22H,6-7,10-13H2
InChIKeyLXIRRDPXZJVPCU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds4

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

3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 8010973) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID8010973
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15-5-2-1-4-14(15)6-7-16(23)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h1-5,8-9,22H,6-7,10-13H2
InChIKeyLXIRRDPXZJVPCU-UHFFFAOYSA-N
XLogP1.46
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 8010973) is 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LXIRRDPXZJVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15-5-2-1-4-14(15)6-7-16(23)20-10-12-21(13-11-20)17-18-8-3-9-19-17/h1-5,8-9,22H,6-7,10-13H2.
What are the key properties of 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 312.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 8010973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).