1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione

C12H17N3O3 — CID 72851861

IUPAC1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione
SMILESCOCCn1cncc1CN1C(=O)CCCC1=O
InChIInChI=1S/C12H17N3O3/c1-18-6-5-14-9-13-7-10(14)8-15-11(16)3-2-4-12(15)17/h7,9H,2-6,8H2,1H3
InChIKeyIOUKITUAABBTEH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.57
Rot. Bonds5

About 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione

1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione (PubChem CID 72851861) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione
PubChem CID72851861
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione
SMILESCOCCn1cncc1CN1C(=O)CCCC1=O
InChIInChI=1S/C12H17N3O3/c1-18-6-5-14-9-13-7-10(14)8-15-11(16)3-2-4-12(15)17/h7,9H,2-6,8H2,1H3
InChIKeyIOUKITUAABBTEH-UHFFFAOYSA-N
XLogP0.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.57
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 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione (CID 72851861) is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione is COCCn1cncc1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione?
The InChIKey is IOUKITUAABBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-6-5-14-9-13-7-10(14)8-15-11(16)3-2-4-12(15)17/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione?
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 72851861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).