2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide

C15H28N2O — CID 56707119

IUPAC2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide
SMILESC=CCC(C)(C)CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C15H28N2O/c1-5-8-15(2,3)12-17-9-6-13(7-10-17)11-14(18)16-4/h5,13H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyBPPRGUYWVITZPF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds6

About 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide

2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 56707119) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide
PubChem CID56707119
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide
SMILESC=CCC(C)(C)CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C15H28N2O/c1-5-8-15(2,3)12-17-9-6-13(7-10-17)11-14(18)16-4/h5,13H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyBPPRGUYWVITZPF-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide (CID 56707119) is 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide is C=CCC(C)(C)CN1CCC(CC(=O)NC)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is BPPRGUYWVITZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-8-15(2,3)12-17-9-6-13(7-10-17)11-14(18)16-4/h5,13H,1,6-12H2,2-4H3,(H,16,18).
What are the key properties of 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide?
2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 56707119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).