2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide

C14H23N3O2 — CID 75405583

IUPAC2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESC=CCCOC(C)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18)
InChIKeyPSRWNCJESPJBKR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.07
Rot. Bonds6

About 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide

2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide (PubChem CID 75405583) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
PubChem CID75405583
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESC=CCCOC(C)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18)
InChIKeyPSRWNCJESPJBKR-UHFFFAOYSA-N
XLogP1.07
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide (CID 75405583) is 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide is C=CCCOC(C)C(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The InChIKey is PSRWNCJESPJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18).
What are the key properties of 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 75405583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).