2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide

C23H33N3O3 — CID 70731262

IUPAC2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide
SMILESCCCCN1CCN(C(C(=O)NC2CCCCCC2)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C23H33N3O3/c1-2-3-15-25-16-17-26(23(29)22(25)28)20(18-11-7-6-8-12-18)21(27)24-19-13-9-4-5-10-14-19/h6-8,11-12,19-20H,2-5,9-10,13-17H2,1H3,(H,24,27)
InChIKeyJNNYOVFTXUXDJS-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide

2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide (PubChem CID 70731262) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide
PubChem CID70731262
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide
SMILESCCCCN1CCN(C(C(=O)NC2CCCCCC2)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C23H33N3O3/c1-2-3-15-25-16-17-26(23(29)22(25)28)20(18-11-7-6-8-12-18)21(27)24-19-13-9-4-5-10-14-19/h6-8,11-12,19-20H,2-5,9-10,13-17H2,1H3,(H,24,27)
InChIKeyJNNYOVFTXUXDJS-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide?
The IUPAC name of 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide (CID 70731262) is 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide.
What is the SMILES notation for 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide?
The canonical SMILES for 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide is CCCCN1CCN(C(C(=O)NC2CCCCCC2)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide?
The InChIKey is JNNYOVFTXUXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-2-3-15-25-16-17-26(23(29)22(25)28)20(18-11-7-6-8-12-18)21(27)24-19-13-9-4-5-10-14-19/h6-8,11-12,19-20H,2-5,9-10,13-17H2,1H3,(H,24,27).
What are the key properties of 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide?
2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide has a molecular weight of 399.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide is sourced from PubChem (CID 70731262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).