4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one

C16H18Cl2N2O2 — CID 119032644

IUPAC4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2)15(22)19-5-6-20(16)14(21)11-8-10(11)9-3-4-12(17)13(18)7-9/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyYZMLSSVCNRPXRF-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.83
Rot. Bonds2

About 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one

4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 119032644) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID119032644
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2)15(22)19-5-6-20(16)14(21)11-8-10(11)9-3-4-12(17)13(18)7-9/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyYZMLSSVCNRPXRF-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one (CID 119032644) is 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is YZMLSSVCNRPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-16(2)15(22)19-5-6-20(16)14(21)11-8-10(11)9-3-4-12(17)13(18)7-9/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,19,22).
What are the key properties of 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one?
4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 341.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 119032644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).