(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

C18H30N2O4 — CID 75462206

IUPAC(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCN1CCN(CC(=O)OC2CCC(C(C)(C)C)CC2)C(=O)C1=O
InChIInChI=1S/C18H30N2O4/c1-5-19-10-11-20(17(23)16(19)22)12-15(21)24-14-8-6-13(7-9-14)18(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyMOYXNGQEVKXEKR-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.83
Rot. Bonds4

About (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (PubChem CID 75462206) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
PubChem CID75462206
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCN1CCN(CC(=O)OC2CCC(C(C)(C)C)CC2)C(=O)C1=O
InChIInChI=1S/C18H30N2O4/c1-5-19-10-11-20(17(23)16(19)22)12-15(21)24-14-8-6-13(7-9-14)18(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyMOYXNGQEVKXEKR-UHFFFAOYSA-N
XLogP1.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (CID 75462206) is (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is CCN1CCN(CC(=O)OC2CCC(C(C)(C)C)CC2)C(=O)C1=O.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The InChIKey is MOYXNGQEVKXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-19-10-11-20(17(23)16(19)22)12-15(21)24-14-8-6-13(7-9-14)18(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
(4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate has a molecular weight of 338.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 75462206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).