2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione

C21H26N4O2 — CID 90494027

IUPAC2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCCc1nccn1CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H26N4O2/c1-2-19-22-9-12-24(19)15-16-7-10-23(11-8-16)13-14-25-20(26)17-5-3-4-6-18(17)21(25)27/h3-6,9,12,16H,2,7-8,10-11,13-15H2,1H3
InChIKeyODOMYRVNRLXTKH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 90494027) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID90494027
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCCc1nccn1CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H26N4O2/c1-2-19-22-9-12-24(19)15-16-7-10-23(11-8-16)13-14-25-20(26)17-5-3-4-6-18(17)21(25)27/h3-6,9,12,16H,2,7-8,10-11,13-15H2,1H3
InChIKeyODOMYRVNRLXTKH-UHFFFAOYSA-N
XLogP2.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione (CID 90494027) is 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione is CCc1nccn1CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ODOMYRVNRLXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-19-22-9-12-24(19)15-16-7-10-23(11-8-16)13-14-25-20(26)17-5-3-4-6-18(17)21(25)27/h3-6,9,12,16H,2,7-8,10-11,13-15H2,1H3.
What are the key properties of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 366.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 90494027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).