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

C21H24N4O3 — CID 90493325

IUPAC2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCCc1nccn1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-2-18-22-9-12-24(18)13-15-7-10-23(11-8-15)19(26)14-25-20(27)16-5-3-4-6-17(16)21(25)28/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3
InChIKeyCYKPWPOFOWJOCQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.98
Rot. Bonds5

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

2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 90493325) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID90493325
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCCc1nccn1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-2-18-22-9-12-24(18)13-15-7-10-23(11-8-15)19(26)14-25-20(27)16-5-3-4-6-17(16)21(25)28/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3
InChIKeyCYKPWPOFOWJOCQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
2-(2-chloro-6-fluorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493335
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 90493325) is 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is CCc1nccn1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is CYKPWPOFOWJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-18-22-9-12-24(18)13-15-7-10-23(11-8-15)19(26)14-25-20(27)16-5-3-4-6-17(16)21(25)28/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 380.45 g/mol, XLogP of 1.98, 5 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]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 90493325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).