2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

C15H24N4O2 — CID 63886501

IUPAC2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C15H24N4O2/c1-18-7-8-19(2)13(10-18)9-17-15(20)11-21-14-5-3-12(16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyLKRUBEPJZTXPMI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.01
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (PubChem CID 63886501) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
PubChem CID63886501
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C15H24N4O2/c1-18-7-8-19(2)13(10-18)9-17-15(20)11-21-14-5-3-12(16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyLKRUBEPJZTXPMI-UHFFFAOYSA-N
XLogP0.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 56787666
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (CID 63886501) is 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is CN1CCN(C)C(CNC(=O)COc2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The InChIKey is LKRUBEPJZTXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18-7-8-19(2)13(10-18)9-17-15(20)11-21-14-5-3-12(16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is sourced from PubChem (CID 63886501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).