N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide

C14H23N3O3 — CID 3836251

IUPACN-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(C)C2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H23N3O3/c1-3-16-9-10-17(13(19)12(16)18)14(20)15(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyGFRYTEVVSQNMNM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.06
Rot. Bonds2

About N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide

N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide (PubChem CID 3836251) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide
PubChem CID3836251
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(C)C2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H23N3O3/c1-3-16-9-10-17(13(19)12(16)18)14(20)15(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyGFRYTEVVSQNMNM-UHFFFAOYSA-N
XLogP1.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide (CID 3836251) is N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)N(C)C2CCCCC2)C(=O)C1=O.
What is the InChIKey of N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is GFRYTEVVSQNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-16-9-10-17(13(19)12(16)18)14(20)15(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide?
N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-N-methyl-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 3836251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).