5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide

C26H31N3O3 — CID 71162206

IUPAC5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(18-20-12-6-2-7-13-20)26(32)29(23)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31)
InChIKeyDUMPUIUUZHJIAG-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.62
Rot. Bonds7

About 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide

5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 71162206) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID71162206
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(18-20-12-6-2-7-13-20)26(32)29(23)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31)
InChIKeyDUMPUIUUZHJIAG-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide (CID 71162206) is 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide is O=C(NC1CCCCC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is DUMPUIUUZHJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(18-20-12-6-2-7-13-20)26(32)29(23)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31).
What are the key properties of 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide?
5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 71162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).