4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one

C14H17Cl2N3O2 — CID 107185544

IUPAC4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C14H17Cl2N3O2/c1-14(2)13(21)18(3)4-5-19(14)12(20)9-6-8(17)7-10(15)11(9)16/h6-7H,4-5,17H2,1-3H3
InChIKeyLNDGBDWXMBLZCC-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.27
Rot. Bonds1

About 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one

4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one (PubChem CID 107185544) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
PubChem CID107185544
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C14H17Cl2N3O2/c1-14(2)13(21)18(3)4-5-19(14)12(20)9-6-8(17)7-10(15)11(9)16/h6-7H,4-5,17H2,1-3H3
InChIKeyLNDGBDWXMBLZCC-UHFFFAOYSA-N
XLogP2.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.27
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-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
CID 120635811
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
5-amino-3-chloro-2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)benzoic acid
CID 107196321
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
4-(4-bromo-3-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 81002670
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472
(5-amino-2,3-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107210976
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369808
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
5-amino-2,3-dichlorobenzamide
CID 107183127
(5-amino-2,3-dichlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107185109
4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105386922

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one (CID 107185544) is 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one is CN1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)(C)C1=O.
What is the InChIKey of 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The InChIKey is LNDGBDWXMBLZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-14(2)13(21)18(3)4-5-19(14)12(20)9-6-8(17)7-10(15)11(9)16/h6-7H,4-5,17H2,1-3H3.
What are the key properties of 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one has a molecular weight of 330.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 107185544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).