3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C13H20N2O3 — CID 102689745

IUPAC3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C1CCCNC1)N1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(9-3-2-6-14-7-9)15-12(16)10-4-5-11(18-10)13(15)17/h8-11,14H,2-7H2,1H3
InChIKeyJNXOGJJKZURSCD-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.29
Rot. Bonds2

About 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102689745) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102689745
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C1CCCNC1)N1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(9-3-2-6-14-7-9)15-12(16)10-4-5-11(18-10)13(15)17/h8-11,14H,2-7H2,1H3
InChIKeyJNXOGJJKZURSCD-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione with MolForge

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Related Compounds

4-(1-piperidin-3-ylethyl)thiomorpholine-3,5-dione
CID 104570979
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CID 43804792
1-(1-piperidin-3-ylethyl)piperidin-2-one
CID 43523151
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine
CID 79678119
1-(2-phenyl-1-piperidin-3-ylpropyl)-3,4-dihydroquinolin-2-one
CID 152744549
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454
1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
1-(1-piperidin-4-ylethyl)azepane-2,7-dione
CID 43523546
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102689745) is 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is CC(C1CCCNC1)N1C(=O)C2CCC(O2)C1=O.
What is the InChIKey of 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is JNXOGJJKZURSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(9-3-2-6-14-7-9)15-12(16)10-4-5-11(18-10)13(15)17/h8-11,14H,2-7H2,1H3.
What are the key properties of 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102689745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).