4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride

C11H22ClN3O2 — CID 120500452

IUPAC4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCNC(=O)C1(C)C.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-7(8(2)12)9(15)14-6-5-13-10(16)11(14,3)4;/h7-8H,5-6,12H2,1-4H3,(H,13,16);1H
InChIKeyQKGBPRADALPTPY-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.13
Rot. Bonds2

About 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride

4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride (PubChem CID 120500452) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
PubChem CID120500452
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCNC(=O)C1(C)C.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-7(8(2)12)9(15)14-6-5-13-10(16)11(14,3)4;/h7-8H,5-6,12H2,1-4H3,(H,13,16);1H
InChIKeyQKGBPRADALPTPY-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride (CID 120500452) is 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride is CC(N)C(C)C(=O)N1CCNC(=O)C1(C)C.Cl.
What is the InChIKey of 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The InChIKey is QKGBPRADALPTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-7(8(2)12)9(15)14-6-5-13-10(16)11(14,3)4;/h7-8H,5-6,12H2,1-4H3,(H,13,16);1H.
What are the key properties of 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120500452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).