N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide

C18H21N5O3 — CID 91937738

IUPACN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H21N5O3/c1-14(24)21-15-3-5-16(6-4-15)26-13-17(25)22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24)
InChIKeyFPDKGSIIPKSKOP-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.16
Rot. Bonds5

About N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide

N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide (PubChem CID 91937738) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
PubChem CID91937738
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H21N5O3/c1-14(24)21-15-3-5-16(6-4-15)26-13-17(25)22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24)
InChIKeyFPDKGSIIPKSKOP-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide (CID 91937738) is N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The InChIKey is FPDKGSIIPKSKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-14(24)21-15-3-5-16(6-4-15)26-13-17(25)22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 91937738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).