2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide

C14H26N2O2 — CID 119559426

IUPAC2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide
SMILESC=CCCOC(C)C(=O)NCCC1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-3-4-10-18-12(2)14(17)16-9-7-13-6-5-8-15-11-13/h3,12-13,15H,1,4-11H2,2H3,(H,16,17)
InChIKeyLEURHMKSFDGJGI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.47
Rot. Bonds8

About 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide

2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide (PubChem CID 119559426) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide
PubChem CID119559426
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide
SMILESC=CCCOC(C)C(=O)NCCC1CCCNC1
InChIInChI=1S/C14H26N2O2/c1-3-4-10-18-12(2)14(17)16-9-7-13-6-5-8-15-11-13/h3,12-13,15H,1,4-11H2,2H3,(H,16,17)
InChIKeyLEURHMKSFDGJGI-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide?
The IUPAC name of 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide (CID 119559426) is 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide.
What is the SMILES notation for 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide?
The canonical SMILES for 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide is C=CCCOC(C)C(=O)NCCC1CCCNC1.
What is the InChIKey of 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide?
The InChIKey is LEURHMKSFDGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-4-10-18-12(2)14(17)16-9-7-13-6-5-8-15-11-13/h3,12-13,15H,1,4-11H2,2H3,(H,16,17).
What are the key properties of 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide?
2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide is sourced from PubChem (CID 119559426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).