4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one

C15H14Cl2N2O3 — CID 71766063

IUPAC4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2C[C@@H]2C(=O)c2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C15H14Cl2N2O3/c16-11-2-1-8(5-12(11)17)14(21)9-6-10(9)15(22)19-4-3-18-13(20)7-19/h1-2,5,9-10H,3-4,6-7H2,(H,18,20)/t9-,10-/m0/s1
InChIKeyMMXYBESETMCVJK-UWVGGRQHSA-N
MW341.19 g/mol
LogP1.77
Rot. Bonds3

About 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one

4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one (PubChem CID 71766063) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one
PubChem CID71766063
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2C[C@@H]2C(=O)c2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C15H14Cl2N2O3/c16-11-2-1-8(5-12(11)17)14(21)9-6-10(9)15(22)19-4-3-18-13(20)7-19/h1-2,5,9-10H,3-4,6-7H2,(H,18,20)/t9-,10-/m0/s1
InChIKeyMMXYBESETMCVJK-UWVGGRQHSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one (CID 71766063) is 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one is O=C1CN(C(=O)[C@H]2C[C@@H]2C(=O)c2ccc(Cl)c(Cl)c2)CCN1.
What is the InChIKey of 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is MMXYBESETMCVJK-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-11-2-1-8(5-12(11)17)14(21)9-6-10(9)15(22)19-4-3-18-13(20)7-19/h1-2,5,9-10H,3-4,6-7H2,(H,18,20)/t9-,10-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one?
4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 341.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 71766063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).