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

C19H22N4O3 — CID 91937737

IUPACN-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-15(24)21-16-5-7-17(8-6-16)26-14-19(25)23-12-10-22(11-13-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyKQSSXWLDFAURFP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.77
Rot. Bonds5

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

N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide (PubChem CID 91937737) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
PubChem CID91937737
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-15(24)21-16-5-7-17(8-6-16)26-14-19(25)23-12-10-22(11-13-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyKQSSXWLDFAURFP-UHFFFAOYSA-N
XLogP1.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide (CID 91937737) is N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The InChIKey is KQSSXWLDFAURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-15(24)21-16-5-7-17(8-6-16)26-14-19(25)23-12-10-22(11-13-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide?
N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 91937737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).