6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione

C18H24N2O2 — CID 73319659

IUPAC6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21)
InChIKeySCEKHGFCEOZHCD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds4

About 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione

6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 73319659) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID73319659
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21)
InChIKeySCEKHGFCEOZHCD-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione (CID 73319659) is 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione is O=C1NCC(Cc2ccccc2)N(CC2CCCCC2)C1=O.
What is the InChIKey of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is SCEKHGFCEOZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-18(22)20(13-15-9-5-2-6-10-15)16(12-19-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21).
What are the key properties of 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione?
6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 300.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 73319659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).