3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H18N2O3 — CID 55251421

IUPAC3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C12H18N2O3/c15-11-9-7-10(9)12(16)14(11)5-6-17-8-1-3-13-4-2-8/h8-10,13H,1-7H2
InChIKeyOKWZKGBIWOBSPB-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.24
Rot. Bonds4

About 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 55251421) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID55251421
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C12H18N2O3/c15-11-9-7-10(9)12(16)14(11)5-6-17-8-1-3-13-4-2-8/h8-10,13H,1-7H2
InChIKeyOKWZKGBIWOBSPB-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 55251421) is 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1CCOC1CCNCC1.
What is the InChIKey of 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is OKWZKGBIWOBSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11-9-7-10(9)12(16)14(11)5-6-17-8-1-3-13-4-2-8/h8-10,13H,1-7H2.
What are the key properties of 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 55251421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).