3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide

C12H24N2O — CID 79042098

IUPAC3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC1NCCCC1NC(=O)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-10(6-5-7-13-9)14-11(15)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLIDYBIPQIIGPIG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds2

About 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide

3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide (PubChem CID 79042098) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
PubChem CID79042098
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC1NCCCC1NC(=O)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-10(6-5-7-13-9)14-11(15)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLIDYBIPQIIGPIG-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide (CID 79042098) is 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide is CC1NCCCC1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide?
The InChIKey is LIDYBIPQIIGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-10(6-5-7-13-9)14-11(15)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide?
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 79042098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).