N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide

C16H28N2O3 — CID 134524988

IUPACN-decan-5-yl-2,4-dioxopiperidine-1-carboxamide
SMILESCCCCCC(CCCC)NC(=O)N1CCC(=O)CC1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-7-9-13(8-6-4-2)17-16(21)18-11-10-14(19)12-15(18)20/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyKAYISFIAJUGRNU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.03
Rot. Bonds8

About N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide

N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide (PubChem CID 134524988) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-decan-5-yl-2,4-dioxopiperidine-1-carboxamide
PubChem CID134524988
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-decan-5-yl-2,4-dioxopiperidine-1-carboxamide
SMILESCCCCCC(CCCC)NC(=O)N1CCC(=O)CC1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-7-9-13(8-6-4-2)17-16(21)18-11-10-14(19)12-15(18)20/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyKAYISFIAJUGRNU-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide?
The IUPAC name of N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide (CID 134524988) is N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide.
What is the SMILES notation for N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide?
The canonical SMILES for N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide is CCCCCC(CCCC)NC(=O)N1CCC(=O)CC1=O.
What is the InChIKey of N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide?
The InChIKey is KAYISFIAJUGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-5-7-9-13(8-6-4-2)17-16(21)18-11-10-14(19)12-15(18)20/h13H,3-12H2,1-2H3,(H,17,21).
What are the key properties of N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide?
N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide is sourced from PubChem (CID 134524988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).