3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione

C11H16N4O2 — CID 66134685

IUPAC3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione
SMILESCCn1cncc1CNC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N4O2/c1-2-15-7-12-5-8(15)6-13-9-3-4-10(16)14-11(9)17/h5,7,9,13H,2-4,6H2,1H3,(H,14,16,17)
InChIKeyNGRHKPZKDFCEET-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.20
Rot. Bonds4

About 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione

3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione (PubChem CID 66134685) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione
PubChem CID66134685
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione
SMILESCCn1cncc1CNC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N4O2/c1-2-15-7-12-5-8(15)6-13-9-3-4-10(16)14-11(9)17/h5,7,9,13H,2-4,6H2,1H3,(H,14,16,17)
InChIKeyNGRHKPZKDFCEET-UHFFFAOYSA-N
XLogP-0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethylimidazol-4-yl)methylamino]azepan-2-one
CID 66132755
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
N-[(3-ethylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66118433
N-[(3-ethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83007196
2-[4-[(3-ethylimidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 66132580
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
CID 114936796
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
CID 107237586
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61000286

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione (CID 66134685) is 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione is CCn1cncc1CNC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione?
The InChIKey is NGRHKPZKDFCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-15-7-12-5-8(15)6-13-9-3-4-10(16)14-11(9)17/h5,7,9,13H,2-4,6H2,1H3,(H,14,16,17).
What are the key properties of 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione?
3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione has a molecular weight of 236.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione is sourced from PubChem (CID 66134685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).