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

C13H24N2O2 — CID 119464565

IUPAC2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide
SMILESC=CCCOC(C)C(=O)NCC1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-3-4-8-17-11(2)13(16)15-10-12-6-5-7-14-9-12/h3,11-12,14H,1,4-10H2,2H3,(H,15,16)
InChIKeyGJNCUXZZFCEEIP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.08
Rot. Bonds7

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

2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119464565) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119464565
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide
SMILESC=CCCOC(C)C(=O)NCC1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-3-4-8-17-11(2)13(16)15-10-12-6-5-7-14-9-12/h3,11-12,14H,1,4-10H2,2H3,(H,15,16)
InChIKeyGJNCUXZZFCEEIP-UHFFFAOYSA-N
XLogP1.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.08
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-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide (CID 119464565) is 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide is C=CCCOC(C)C(=O)NCC1CCCNC1.
What is the InChIKey of 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is GJNCUXZZFCEEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-8-17-11(2)13(16)15-10-12-6-5-7-14-9-12/h3,11-12,14H,1,4-10H2,2H3,(H,15,16).
What are the key properties of 2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide?
2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.08, 7 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-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119464565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).