4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one

C13H14Cl2N2O2 — CID 63361938

IUPAC4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-13(2)12(19)16-6-7-17(13)11(18)8-4-3-5-9(14)10(8)15/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyGBNJCBFUFFCHPX-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.34
Rot. Bonds1

About 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one

4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63361938) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63361938
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-13(2)12(19)16-6-7-17(13)11(18)8-4-3-5-9(14)10(8)15/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyGBNJCBFUFFCHPX-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615006
4-(2-chloro-6-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63659145
3,3-dimethyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 63607589
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746
4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606608
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
4-(3-amino-4,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63595395
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362537
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
CID 104547897
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 63606368

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one (CID 63361938) is 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is GBNJCBFUFFCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-13(2)12(19)16-6-7-17(13)11(18)8-4-3-5-9(14)10(8)15/h3-5H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one?
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 301.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63361938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).