5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H24N2O2 — CID 114700534

IUPAC5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC3CCNCC3C)C(=O)C2C1
InChIInChI=1S/C15H24N2O2/c1-9-5-12-13(6-9)15(19)17(14(12)18)8-11-3-4-16-7-10(11)2/h9-13,16H,3-8H2,1-2H3
InChIKeySTNHJROCJKEROT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.26
Rot. Bonds2

About 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114700534) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114700534
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(CC3CCNCC3C)C(=O)C2C1
InChIInChI=1S/C15H24N2O2/c1-9-5-12-13(6-9)15(19)17(14(12)18)8-11-3-4-16-7-10(11)2/h9-13,16H,3-8H2,1-2H3
InChIKeySTNHJROCJKEROT-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114700534) is 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(CC3CCNCC3C)C(=O)C2C1.
What is the InChIKey of 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is STNHJROCJKEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-5-12-13(6-9)15(19)17(14(12)18)8-11-3-4-16-7-10(11)2/h9-13,16H,3-8H2,1-2H3.
What are the key properties of 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 264.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114700534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).