4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide

C25H27N5O5 — CID 90320590

IUPAC4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ncc(-c2ccccc2N2CCN(C(=O)CNC(=O)c3ccc(O)c(OC)c3)CC2)cn1
InChIInChI=1S/C25H27N5O5/c1-34-22-13-17(7-8-21(22)31)24(33)26-16-23(32)30-11-9-29(10-12-30)20-6-4-3-5-19(20)18-14-27-25(35-2)28-15-18/h3-8,13-15,31H,9-12,16H2,1-2H3,(H,26,33)
InChIKeyIUQYQROCLXKWRD-UHFFFAOYSA-N
MW477.52 g/mol
LogP1.95
Rot. Bonds7

About 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide

4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 90320590) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID90320590
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ncc(-c2ccccc2N2CCN(C(=O)CNC(=O)c3ccc(O)c(OC)c3)CC2)cn1
InChIInChI=1S/C25H27N5O5/c1-34-22-13-17(7-8-21(22)31)24(33)26-16-23(32)30-11-9-29(10-12-30)20-6-4-3-5-19(20)18-14-27-25(35-2)28-15-18/h3-8,13-15,31H,9-12,16H2,1-2H3,(H,26,33)
InChIKeyIUQYQROCLXKWRD-UHFFFAOYSA-N
XLogP1.95
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 90320590) is 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide is COc1ncc(-c2ccccc2N2CCN(C(=O)CNC(=O)c3ccc(O)c(OC)c3)CC2)cn1.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is IUQYQROCLXKWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-34-22-13-17(7-8-21(22)31)24(33)26-16-23(32)30-11-9-29(10-12-30)20-6-4-3-5-19(20)18-14-27-25(35-2)28-15-18/h3-8,13-15,31H,9-12,16H2,1-2H3,(H,26,33).
What are the key properties of 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide?
4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 477.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[2-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90320590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).