N-(2-piperidin-4-yloxyethyl)pent-4-enamide

C12H22N2O2 — CID 63871773

IUPACN-(2-piperidin-4-yloxyethyl)pent-4-enamide
SMILESC=CCCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-4-12(15)14-9-10-16-11-5-7-13-8-6-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyDWFYZHBWWUDFRZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds7

About N-(2-piperidin-4-yloxyethyl)pent-4-enamide

N-(2-piperidin-4-yloxyethyl)pent-4-enamide (PubChem CID 63871773) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)pent-4-enamide
PubChem CID63871773
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-piperidin-4-yloxyethyl)pent-4-enamide
SMILESC=CCCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-4-12(15)14-9-10-16-11-5-7-13-8-6-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyDWFYZHBWWUDFRZ-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
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)pent-4-enamide?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)pent-4-enamide (CID 63871773) is N-(2-piperidin-4-yloxyethyl)pent-4-enamide.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)pent-4-enamide?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)pent-4-enamide is C=CCCC(=O)NCCOC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)pent-4-enamide?
The InChIKey is DWFYZHBWWUDFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-12(15)14-9-10-16-11-5-7-13-8-6-11/h2,11,13H,1,3-10H2,(H,14,15).
What are the key properties of N-(2-piperidin-4-yloxyethyl)pent-4-enamide?
N-(2-piperidin-4-yloxyethyl)pent-4-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 7 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)pent-4-enamide is sourced from PubChem (CID 63871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).