3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide

C12H24N2O — CID 25236109

IUPAC3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCN1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)9-11(15)13-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyPUUZOWGFZAGVEM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds2

About 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide

3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 25236109) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID25236109
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCN1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)9-11(15)13-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyPUUZOWGFZAGVEM-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide (CID 25236109) is 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide is CN1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is PUUZOWGFZAGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)9-11(15)13-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 25236109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).