(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione

C18H16N2O2 — CID 19761660

IUPAC(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N/C1=C/c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-11,16H,12H2,(H,19,22)(H,20,21)/b15-11+
InChIKeyKJPNWHSBPATWCY-RVDMUPIBSA-N
MW292.34 g/mol
LogP1.88
Rot. Bonds3

About (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione

(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione (PubChem CID 19761660) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione
PubChem CID19761660
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N/C1=C/c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-11,16H,12H2,(H,19,22)(H,20,21)/b15-11+
InChIKeyKJPNWHSBPATWCY-RVDMUPIBSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione?
The IUPAC name of (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione (CID 19761660) is (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione.
What is the SMILES notation for (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione?
The canonical SMILES for (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione is O=C1NC(Cc2ccccc2)C(=O)N/C1=C/c1ccccc1.
What is the InChIKey of (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione?
The InChIKey is KJPNWHSBPATWCY-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-11,16H,12H2,(H,19,22)(H,20,21)/b15-11+.
What are the key properties of (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione?
(6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-benzyl-6-benzylidenepiperazine-2,5-dione is sourced from PubChem (CID 19761660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).