3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one

C12H25N3O — CID 63610949

IUPAC3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)CN)CCN1C
InChIInChI=1S/C12H25N3O/c1-5-10-8-15(7-6-14(10)4)11(16)12(2,3)9-13/h10H,5-9,13H2,1-4H3
InChIKeySFGFVSTWYQXUAJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one

3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 63610949) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID63610949
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)CN)CCN1C
InChIInChI=1S/C12H25N3O/c1-5-10-8-15(7-6-14(10)4)11(16)12(2,3)9-13/h10H,5-9,13H2,1-4H3
InChIKeySFGFVSTWYQXUAJ-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
2-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569935
3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536811
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one (CID 63610949) is 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one is CCC1CN(C(=O)C(C)(C)CN)CCN1C.
What is the InChIKey of 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SFGFVSTWYQXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10-8-15(7-6-14(10)4)11(16)12(2,3)9-13/h10H,5-9,13H2,1-4H3.
What are the key properties of 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63610949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).