3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one

C11H23N3O — CID 64685940

IUPAC3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCCN1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C11H23N3O/c1-4-13-5-7-14(8-6-13)10(15)9-11(2,3)12/h4-9,12H2,1-3H3
InChIKeyKDSNIWFDGCRKCS-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds3

About 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one

3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 64685940) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID64685940
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCCN1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C11H23N3O/c1-4-13-5-7-14(8-6-13)10(15)9-11(2,3)12/h4-9,12H2,1-3H3
InChIKeyKDSNIWFDGCRKCS-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one (CID 64685940) is 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one is CCN1CCN(C(=O)CC(C)(C)N)CC1.
What is the InChIKey of 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is KDSNIWFDGCRKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13-5-7-14(8-6-13)10(15)9-11(2,3)12/h4-9,12H2,1-3H3.
What are the key properties of 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one?
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64685940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).