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

C16H33ClN2O — CID 3066179

IUPAC2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C16H32N2O.ClH/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);1H
InChIKeyOBCILDPWUOFLDF-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.61
Rot. Bonds4

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

2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (PubChem CID 3066179) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
PubChem CID3066179
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C16H32N2O.ClH/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);1H
InChIKeyOBCILDPWUOFLDF-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidineacetamide, N-(1,1-dimethylpentyl)-, hydrochloride
CID 3065937
Acetamide, 2-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024587
Acetamide, 2-(diethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024809
1-Piperidineacetamide, N-(1,1,3-trimethylbutyl)-, hydrochloride
CID 3065919
1-Piperidineacetamide, N-(1-methylcyclohexyl)-, hydrochloride
CID 3066028
Butyramide, 2-(diethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3066084
1-Piperidineacetamide, N-(1,1-dimethyloctyl)-, hydrochloride
CID 3066142
1-Piperidineacetamide, N-(1,1-dimethylnonyl)-, hydrochloride
CID 3066151
1-Piperidineacetamide, N-(1,1,4-trimethylpentyl)-, hydrochloride
CID 3066159
1-Piperidineacetamide, N-(1-ethyl-1-methylpentyl)-, hydrochloride
CID 3066161
1-Piperidineacetamide, N-(1,1-dimethylhexyl)-, hydrochloride
CID 3066163
1-Piperidineacetamide, N-(1,1-dimethyldecyl)-, hydrochloride
CID 3066165

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (CID 3066179) is 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride is CC1CCCCN1CC(=O)NC(C)(C)CC(C)(C)C.Cl.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The InChIKey is OBCILDPWUOFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/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);1H.
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
2-(2-methylpiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.61, 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;hydrochloride is sourced from PubChem (CID 3066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).