2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide

C28H32N4O3 — CID 166636078

IUPAC2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
SMILESCC(=O)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H32N4O3/c1-22(33)32-15-13-31(14-16-32)17-18-35-27-11-8-24(9-12-27)25-7-10-26(29-21-25)19-28(34)30-20-23-5-3-2-4-6-23/h2-12,21H,13-20H2,1H3,(H,30,34)
InChIKeyFJDINEKIXMYIAQ-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.15
Rot. Bonds9

About 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide

2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide (PubChem CID 166636078) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
PubChem CID166636078
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
SMILESCC(=O)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H32N4O3/c1-22(33)32-15-13-31(14-16-32)17-18-35-27-11-8-24(9-12-27)25-7-10-26(29-21-25)19-28(34)30-20-23-5-3-2-4-6-23/h2-12,21H,13-20H2,1H3,(H,30,34)
InChIKeyFJDINEKIXMYIAQ-UHFFFAOYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The IUPAC name of 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide (CID 166636078) is 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide.
What is the SMILES notation for 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The canonical SMILES for 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide is CC(=O)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The InChIKey is FJDINEKIXMYIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-22(33)32-15-13-31(14-16-32)17-18-35-27-11-8-24(9-12-27)25-7-10-26(29-21-25)19-28(34)30-20-23-5-3-2-4-6-23/h2-12,21H,13-20H2,1H3,(H,30,34).
What are the key properties of 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide has a molecular weight of 472.59 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide is sourced from PubChem (CID 166636078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).