4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C16H22N2O3 — CID 63869527

IUPAC4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-15-13-10-1-2-11(9-10)14(13)16(20)18(15)7-8-21-12-3-5-17-6-4-12/h1-2,10-14,17H,3-9H2
InChIKeyGPFFSHCVHHVQBE-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.56
Rot. Bonds4

About 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 63869527) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID63869527
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-15-13-10-1-2-11(9-10)14(13)16(20)18(15)7-8-21-12-3-5-17-6-4-12/h1-2,10-14,17H,3-9H2
InChIKeyGPFFSHCVHHVQBE-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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Related Compounds

3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 55251421
(1S,2R,6S,7R)-4-[2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99722784
N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide
CID 119340858
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
(1R,2R,6S,7R)-4-[4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124719889
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl acetate
CID 4601821
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine-2,6-dione
CID 63870542
(2R,6S)-4-(6-hydroxyhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 90353934
(1R,2R,6S,7S)-4-(5-hydroxypentyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135367218
3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
CID 63870034
(1S,2S,6R,7R)-4-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 100938968
(1S,2R,6S,7R)-4-(4-aminobutyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 171984104

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 63869527) is 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1CCOC1CCNCC1.
What is the InChIKey of 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is GPFFSHCVHHVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-13-10-1-2-11(9-10)14(13)16(20)18(15)7-8-21-12-3-5-17-6-4-12/h1-2,10-14,17H,3-9H2.
What are the key properties of 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 290.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 63869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).