4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one

C14H18ClN3O2 — CID 115930608

IUPAC4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cccc(N)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-14(2)13(20)17(3)7-8-18(14)12(19)9-5-4-6-10(16)11(9)15/h4-6H,7-8,16H2,1-3H3
InChIKeyRBLKBFRHNIDKCP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.62
Rot. Bonds1

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

4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one (PubChem CID 115930608) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
PubChem CID115930608
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cccc(N)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-14(2)13(20)17(3)7-8-18(14)12(19)9-5-4-6-10(16)11(9)15/h4-6H,7-8,16H2,1-3H3
InChIKeyRBLKBFRHNIDKCP-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.62
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
4-(3-amino-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 115930586
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
CID 120635811
1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
CID 146075683
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63361938
4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
CID 112576024
4-(4-bromo-3-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 81002670
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one (CID 115930608) is 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one is CN1CCN(C(=O)c2cccc(N)c2Cl)C(C)(C)C1=O.
What is the InChIKey of 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
The InChIKey is RBLKBFRHNIDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(2)13(20)17(3)7-8-18(14)12(19)9-5-4-6-10(16)11(9)15/h4-6H,7-8,16H2,1-3H3.
What are the key properties of 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one?
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 115930608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).