acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline

C14H25N4O+ — CID 126508416

IUPACacetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline
SMILESCC(N)=O.CN1CC[N+](C)(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H20N3.C2H5NO/c1-14-7-9-15(2,10-8-14)12-5-3-11(13)4-6-12;1-2(3)4/h3-6H,7-10,13H2,1-2H3;1H3,(H2,3,4)/q+1;
InChIKeyQIJOEPDYAPSKIO-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.64
Rot. Bonds1

About acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline

acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline (PubChem CID 126508416) has the molecular formula C14H25N4O+ and a molecular weight of 265.38 g/mol. Its IUPAC name is acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline.

Molecular Properties

Compound Nameacetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline
PubChem CID126508416
Molecular FormulaC14H25N4O+
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Nameacetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline
SMILESCC(N)=O.CN1CC[N+](C)(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H20N3.C2H5NO/c1-14-7-9-15(2,10-8-14)12-5-3-11(13)4-6-12;1-2(3)4/h3-6H,7-10,13H2,1-2H3;1H3,(H2,3,4)/q+1;
InChIKeyQIJOEPDYAPSKIO-UHFFFAOYSA-N
XLogP0.64
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-dimethylpiperazin-4-ium-1-yl)aniline
CID 18436406
1-(1,4-dimethylpiperazin-1-ium-1-yl)ethanone
CID 54094876
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
1-[7-(4-aminophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 142395454
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
acetamide;4-aminobenzenesulfonamide
CID 175093651
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-amino-4-(4-aminophenyl)but-3-en-2-one
CID 174747423
(3S,4R)-4-(4-aminophenyl)-1-methylpyrrolidine-3-carboxamide
CID 99986873
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 91387404

Frequently Asked Questions

What is the IUPAC name of acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline?
The IUPAC name of acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline (CID 126508416) is acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline.
What is the SMILES notation for acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline?
The canonical SMILES for acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline is CC(N)=O.CN1CC[N+](C)(c2ccc(N)cc2)CC1.
What is the InChIKey of acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline?
The InChIKey is QIJOEPDYAPSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N3.C2H5NO/c1-14-7-9-15(2,10-8-14)12-5-3-11(13)4-6-12;1-2(3)4/h3-6H,7-10,13H2,1-2H3;1H3,(H2,3,4)/q+1;.
What are the key properties of acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline?
acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline has a molecular weight of 265.38 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4-(1,4-dimethylpiperazin-1-ium-1-yl)aniline is sourced from PubChem (CID 126508416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).