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

C13H24N2O2 — CID 55251214

IUPAC3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCCOC1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)10-13(16)15-6-3-9-17-12-4-7-14-8-5-12/h10,12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyCRTDSPQWHVODOT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds6

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

3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide (PubChem CID 55251214) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide
PubChem CID55251214
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCCOC1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)10-13(16)15-6-3-9-17-12-4-7-14-8-5-12/h10,12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyCRTDSPQWHVODOT-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
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-(3-piperidin-4-yloxypropyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide (CID 55251214) is 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide is CC(C)=CC(=O)NCCCOC1CCNCC1.
What is the InChIKey of 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide?
The InChIKey is CRTDSPQWHVODOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)10-13(16)15-6-3-9-17-12-4-7-14-8-5-12/h10,12,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide?
3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-4-yloxypropyl)but-2-enamide is sourced from PubChem (CID 55251214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).