2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide

C13H27N3O — CID 113228751

IUPAC2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
SMILESCC1CN(C)CCC1NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-10-9-16(5)7-6-11(10)15-12(17)8-14-13(2,3)4/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyUWEKKSMEJVWZEP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds3

About 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide

2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide (PubChem CID 113228751) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
PubChem CID113228751
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
SMILESCC1CN(C)CCC1NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-10-9-16(5)7-6-11(10)15-12(17)8-14-13(2,3)4/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyUWEKKSMEJVWZEP-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide (CID 113228751) is 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide is CC1CN(C)CCC1NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide?
The InChIKey is UWEKKSMEJVWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-9-16(5)7-6-11(10)15-12(17)8-14-13(2,3)4/h10-11,14H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide?
2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 113228751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).