3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione

C18H12Cl2N2O2 — CID 3830190

IUPAC3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)[nH]c1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,24)(H,22,23)
InChIKeyAOQJMDOQAQNFJY-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.03
Rot. Bonds2

About 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione

3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione (PubChem CID 3830190) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
PubChem CID3830190
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)[nH]c1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,24)(H,22,23)
InChIKeyAOQJMDOQAQNFJY-UHFFFAOYSA-N
XLogP2.03
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione (CID 3830190) is 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione is O=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)[nH]c1=Cc1ccc(Cl)cc1.
What is the InChIKey of 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione?
The InChIKey is AOQJMDOQAQNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,24)(H,22,23).
What are the key properties of 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione?
3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione has a molecular weight of 359.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 3830190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).