2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide

C12H23N3O — CID 83021114

IUPAC2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide
SMILESC=CCC(N)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C12H23N3O/c1-4-6-11(13)12(16)14-15-9(2)7-5-8-10(15)3/h4,9-11H,1,5-8,13H2,2-3H3,(H,14,16)
InChIKeyMBGPYEBQZAQSBX-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide

2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide (PubChem CID 83021114) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide
PubChem CID83021114
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide
SMILESC=CCC(N)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C12H23N3O/c1-4-6-11(13)12(16)14-15-9(2)7-5-8-10(15)3/h4,9-11H,1,5-8,13H2,2-3H3,(H,14,16)
InChIKeyMBGPYEBQZAQSBX-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide?
The IUPAC name of 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide (CID 83021114) is 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide is C=CCC(N)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide?
The InChIKey is MBGPYEBQZAQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-11(13)12(16)14-15-9(2)7-5-8-10(15)3/h4,9-11H,1,5-8,13H2,2-3H3,(H,14,16).
What are the key properties of 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide?
2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide has a molecular weight of 225.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dimethylpiperidin-1-yl)pent-4-enamide is sourced from PubChem (CID 83021114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).