2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H32N2O — CID 3066180

IUPAC2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32N2O/c1-13-9-7-8-10-18(13)11-14(19)17-16(5,6)12-15(2,3)4/h13H,7-12H2,1-6H3,(H,17,19)
InChIKeyGQDZYWOHWKJXFZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 3066180) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID3066180
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32N2O/c1-13-9-7-8-10-18(13)11-14(19)17-16(5,6)12-15(2,3)4/h13H,7-12H2,1-6H3,(H,17,19)
InChIKeyGQDZYWOHWKJXFZ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 3066180) is 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is GQDZYWOHWKJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-9-7-8-10-18(13)11-14(19)17-16(5,6)12-15(2,3)4/h13H,7-12H2,1-6H3,(H,17,19).
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 3066180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).