2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

C13H20N3O2+ — CID 7106994

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-4-2-11(3-5-12)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)/p+1
InChIKeyULOYWEKSJIMGFD-UHFFFAOYSA-O
MW250.32 g/mol
LogP-1.11
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 7106994) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID7106994
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-4-2-11(3-5-12)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)/p+1
InChIKeyULOYWEKSJIMGFD-UHFFFAOYSA-O
XLogP-1.11
TPSA60.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone
CID 4743766
ethyl N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]carbamate
CID 8587066
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7998596
N-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7738758
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
N-[(4-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide
CID 8587240
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587311
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
N-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655419
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7390121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 7106994) is 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is COc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is ULOYWEKSJIMGFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-4-2-11(3-5-12)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)/p+1.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 250.32 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7106994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).