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

C17H23N3O3 — CID 119340858

IUPACN-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-15(10-3-5-18-6-4-10)19-7-8-20-16(22)13-11-1-2-12(9-11)14(13)17(20)23/h1-2,10-14,18H,3-9H2,(H,19,21)
InChIKeyFEGYBMAUXPPIEQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.09
Rot. Bonds4

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

N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119340858) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID119340858
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-4-carboxamide
SMILESO=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-15(10-3-5-18-6-4-10)19-7-8-20-16(22)13-11-1-2-12(9-11)14(13)17(20)23/h1-2,10-14,18H,3-9H2,(H,19,21)
InChIKeyFEGYBMAUXPPIEQ-UHFFFAOYSA-N
XLogP-0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-carboxamide?
The IUPAC name of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide (CID 119340858) is N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-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-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1CCNCC1.
What is the InChIKey of N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is FEGYBMAUXPPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(10-3-5-18-6-4-10)19-7-8-20-16(22)13-11-1-2-12(9-11)14(13)17(20)23/h1-2,10-14,18H,3-9H2,(H,19,21).
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-4-carboxamide?
N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-4-carboxamide is sourced from PubChem (CID 119340858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).