3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione

C12H18N2O3 — CID 55251420

IUPAC3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCOC2CCNCC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-9-8-11(15)14(12(9)16)6-7-17-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyRDVPKPWZAWJTCL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.07
Rot. Bonds4

About 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione

3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione (PubChem CID 55251420) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione
PubChem CID55251420
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCOC2CCNCC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-9-8-11(15)14(12(9)16)6-7-17-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyRDVPKPWZAWJTCL-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
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-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione (CID 55251420) is 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCOC2CCNCC2)C1=O.
What is the InChIKey of 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione?
The InChIKey is RDVPKPWZAWJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-8-11(15)14(12(9)16)6-7-17-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione?
3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione has a molecular weight of 238.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-piperidin-4-yloxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 55251420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).