1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

C13H23N3O3 — CID 47151765

IUPAC1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-9-6-14-12(17)10-4-7-16(8-5-10)13(18)15-11-2-3-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOESUSRGVWGSXKX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.33
Rot. Bonds5

About 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (PubChem CID 47151765) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
PubChem CID47151765
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-9-6-14-12(17)10-4-7-16(8-5-10)13(18)15-11-2-3-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyOESUSRGVWGSXKX-UHFFFAOYSA-N
XLogP0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (CID 47151765) is 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide is COCCNC(=O)C1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The InChIKey is OESUSRGVWGSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-9-6-14-12(17)10-4-7-16(8-5-10)13(18)15-11-2-3-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).