4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride

C15H22ClN3O2 — CID 120635811

IUPAC4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCN(C)C(=O)C1(C)C.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-5-6-11(16)9-12(10)13(19)18-8-7-17(4)14(20)15(18,2)3;/h5-6,9H,7-8,16H2,1-4H3;1H
InChIKeyCMGHORBFUMDBMC-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.69
Rot. Bonds1

About 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride

4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride (PubChem CID 120635811) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
PubChem CID120635811
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCN(C)C(=O)C1(C)C.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-5-6-11(16)9-12(10)13(19)18-8-7-17(4)14(20)15(18,2)3;/h5-6,9H,7-8,16H2,1-4H3;1H
InChIKeyCMGHORBFUMDBMC-UHFFFAOYSA-N
XLogP1.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 107185544
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369808
(5-amino-2-methylphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120632356
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
4-(4-bromo-3-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 81002670
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105386922
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride (CID 120635811) is 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride is Cc1ccc(N)cc1C(=O)N1CCN(C)C(=O)C1(C)C.Cl.
What is the InChIKey of 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The InChIKey is CMGHORBFUMDBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10-5-6-11(16)9-12(10)13(19)18-8-7-17(4)14(20)15(18,2)3;/h5-6,9H,7-8,16H2,1-4H3;1H.
What are the key properties of 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride?
4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120635811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).