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

C12H22N2O2 — CID 63871610

IUPAC3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-10(2)9-12(15)14-7-8-16-11-3-5-13-6-4-11/h9,11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKIGWVQBVFZXKEC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds5

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

3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide (PubChem CID 63871610) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide
PubChem CID63871610
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCOC1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-10(2)9-12(15)14-7-8-16-11-3-5-13-6-4-11/h9,11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKIGWVQBVFZXKEC-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide (CID 63871610) is 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide is CC(C)=CC(=O)NCCOC1CCNCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide?
The InChIKey is KIGWVQBVFZXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)9-12(15)14-7-8-16-11-3-5-13-6-4-11/h9,11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide?
3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-4-yloxyethyl)but-2-enamide is sourced from PubChem (CID 63871610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).