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

C14H26N2O2 — CID 77009054

IUPAC2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCCCOC1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-12(2)14(17)16-8-4-11-18-13-6-9-15-10-7-13/h5,13,15H,3-4,6-11H2,1-2H3,(H,16,17)
InChIKeyPXONJDMFEMPTCV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.62
Rot. Bonds7

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

2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide (PubChem CID 77009054) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide
PubChem CID77009054
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCCCOC1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-12(2)14(17)16-8-4-11-18-13-6-9-15-10-7-13/h5,13,15H,3-4,6-11H2,1-2H3,(H,16,17)
InChIKeyPXONJDMFEMPTCV-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.62
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 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide?
The IUPAC name of 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide (CID 77009054) is 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide.
What is the SMILES notation for 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide?
The canonical SMILES for 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide is CCC=C(C)C(=O)NCCCOC1CCNCC1.
What is the InChIKey of 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide?
The InChIKey is PXONJDMFEMPTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-12(2)14(17)16-8-4-11-18-13-6-9-15-10-7-13/h5,13,15H,3-4,6-11H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide?
2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide is sourced from PubChem (CID 77009054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).