4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione

C11H13N3O2 — CID 66140663

IUPAC4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cncn2C2CC2)CC(=O)N1
InChIInChI=1S/C11H13N3O2/c15-10-3-7(4-11(16)13-10)9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16)
InChIKeyNFKWIWRXLPPURE-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.74
Rot. Bonds2

About 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione

4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione (PubChem CID 66140663) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
PubChem CID66140663
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cncn2C2CC2)CC(=O)N1
InChIInChI=1S/C11H13N3O2/c15-10-3-7(4-11(16)13-10)9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16)
InChIKeyNFKWIWRXLPPURE-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(1-methyl-1H-imidazol-4-yl)ethyl)piperidine-2,6-dione
CID 86301130
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 14132661
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one
CID 44433933
3-cyclopropyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 85653843
2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide
CID 86798642
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]butan-1-one
CID 136513198
Histidyl-diketo-piperazine
CID 129723684
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112527701
N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112527766
3-(3-Methylimidazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]propan-1-one
CID 136542141
1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide
CID 138007389
3-(1H-imidazol-5-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 10331669

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione (CID 66140663) is 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione is O=C1CC(c2cncn2C2CC2)CC(=O)N1.
What is the InChIKey of 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
The InChIKey is NFKWIWRXLPPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-3-7(4-11(16)13-10)9-5-12-6-14(9)8-1-2-8/h5-8H,1-4H2,(H,13,15,16).
What are the key properties of 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione?
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 66140663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).