N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide

C17H23N3O3 — CID 5307316

IUPACN-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
InChIInChI=1S/C17H23N3O3/c21-15-13-11-4-5-12(10-11)14(13)16(22)20(15)9-6-18-17(23)19-7-2-1-3-8-19/h4-5,11-14H,1-3,6-10H2,(H,18,23)
InChIKeyRDMAQNZCDUKLGY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.99
Rot. Bonds3

About N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide

N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 5307316) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID5307316
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
InChIInChI=1S/C17H23N3O3/c21-15-13-11-4-5-12(10-11)14(13)16(22)20(15)9-6-18-17(23)19-7-2-1-3-8-19/h4-5,11-14H,1-3,6-10H2,(H,18,23)
InChIKeyRDMAQNZCDUKLGY-UHFFFAOYSA-N
XLogP0.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide (CID 5307316) is N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide is O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1.
What is the InChIKey of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is RDMAQNZCDUKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15-13-11-4-5-12(10-11)14(13)16(22)20(15)9-6-18-17(23)19-7-2-1-3-8-19/h4-5,11-14H,1-3,6-10H2,(H,18,23).
What are the key properties of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide?
N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 5307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).