4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride

C8H16ClN3O2 — CID 56831864

IUPAC4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
SMILESCC(C)(N)C(=O)N1CCNC(=O)C1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-8(2,9)7(13)11-4-3-10-6(12)5-11;/h3-5,9H2,1-2H3,(H,10,12);1H
InChIKeyPRCHJUDEFQDPGH-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.90
Rot. Bonds1

About 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride

4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride (PubChem CID 56831864) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
PubChem CID56831864
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC Name4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
SMILESCC(C)(N)C(=O)N1CCNC(=O)C1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-8(2,9)7(13)11-4-3-10-6(12)5-11;/h3-5,9H2,1-2H3,(H,10,12);1H
InChIKeyPRCHJUDEFQDPGH-UHFFFAOYSA-N
XLogP-0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
2-methyl-2-(3-oxopiperazine-1-carbonyl)butanethioamide
CID 114291850
4-acetylpiperazin-2-one
CID 12744517
4-(3,3-dimethylbut-1-en-2-yl)piperazin-2-one
CID 167021506
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride (CID 56831864) is 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride is CC(C)(N)C(=O)N1CCNC(=O)C1.Cl.
What is the InChIKey of 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride?
The InChIKey is PRCHJUDEFQDPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-8(2,9)7(13)11-4-3-10-6(12)5-11;/h3-5,9H2,1-2H3,(H,10,12);1H.
What are the key properties of 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride?
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 56831864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).