N-(2-piperidin-4-yloxyethyl)but-3-enamide

C11H20N2O2 — CID 63871106

IUPACN-(2-piperidin-4-yloxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-11(14)13-8-9-15-10-4-6-12-7-5-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyBDNMRZDGOJRAFI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

About N-(2-piperidin-4-yloxyethyl)but-3-enamide

N-(2-piperidin-4-yloxyethyl)but-3-enamide (PubChem CID 63871106) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)but-3-enamide
PubChem CID63871106
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-piperidin-4-yloxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-11(14)13-8-9-15-10-4-6-12-7-5-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyBDNMRZDGOJRAFI-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
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 N-(2-piperidin-4-yloxyethyl)but-3-enamide?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)but-3-enamide (CID 63871106) is N-(2-piperidin-4-yloxyethyl)but-3-enamide.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)but-3-enamide?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)but-3-enamide is C=CCC(=O)NCCOC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)but-3-enamide?
The InChIKey is BDNMRZDGOJRAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-11(14)13-8-9-15-10-4-6-12-7-5-10/h2,10,12H,1,3-9H2,(H,13,14).
What are the key properties of N-(2-piperidin-4-yloxyethyl)but-3-enamide?
N-(2-piperidin-4-yloxyethyl)but-3-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)but-3-enamide is sourced from PubChem (CID 63871106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).