2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

C13H19N3O2 — CID 54891952

IUPAC2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(N)=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-11-4-2-10(3-5-11)12(13(14)17)16-8-6-15-7-9-16/h2-5,12,15H,6-9H2,1H3,(H2,14,17)
InChIKeyHYRFUJQFHPWRTB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.13
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 54891952) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID54891952
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(N)=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-11-4-2-10(3-5-11)12(13(14)17)16-8-6-15-7-9-16/h2-5,12,15H,6-9H2,1H3,(H2,14,17)
InChIKeyHYRFUJQFHPWRTB-UHFFFAOYSA-N
XLogP0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716410
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716413
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 65026244
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
CID 54892096
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 61006005

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (CID 54891952) is 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is COc1ccc(C(C(N)=O)N2CCNCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is HYRFUJQFHPWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-11-4-2-10(3-5-11)12(13(14)17)16-8-6-15-7-9-16/h2-5,12,15H,6-9H2,1H3,(H2,14,17).
What are the key properties of 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54891952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).