3,3-dimethyl-N-piperidin-1-ylhex-5-enamide

C13H24N2O — CID 89053825

IUPAC3,3-dimethyl-N-piperidin-1-ylhex-5-enamide
SMILESC=CCC(C)(C)CC(=O)NN1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-8-13(2,3)11-12(16)14-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16)
InChIKeyBOBSRWUNOKBXHM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.50
Rot. Bonds5

About 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide

3,3-dimethyl-N-piperidin-1-ylhex-5-enamide (PubChem CID 89053825) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide.

Molecular Properties

Compound Name3,3-dimethyl-N-piperidin-1-ylhex-5-enamide
PubChem CID89053825
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,3-dimethyl-N-piperidin-1-ylhex-5-enamide
SMILESC=CCC(C)(C)CC(=O)NN1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-8-13(2,3)11-12(16)14-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16)
InChIKeyBOBSRWUNOKBXHM-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide?
The IUPAC name of 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide (CID 89053825) is 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide.
What is the SMILES notation for 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide?
The canonical SMILES for 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide is C=CCC(C)(C)CC(=O)NN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide?
The InChIKey is BOBSRWUNOKBXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-13(2,3)11-12(16)14-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16).
What are the key properties of 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide?
3,3-dimethyl-N-piperidin-1-ylhex-5-enamide has a molecular weight of 224.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-piperidin-1-ylhex-5-enamide is sourced from PubChem (CID 89053825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).