1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone

C12H22N2O — CID 79280233

IUPAC1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-4-7-13-9-11(15)14-8-5-6-12(2,3)10-14/h4,13H,1,5-10H2,2-3H3
InChIKeyWJDHBKQQLOPLIF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds4

About 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone

1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 79280233) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
PubChem CID79280233
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-4-7-13-9-11(15)14-8-5-6-12(2,3)10-14/h4,13H,1,5-10H2,2-3H3
InChIKeyWJDHBKQQLOPLIF-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
N-(1-methylcyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79279826
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 79280161
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone (CID 79280233) is 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is WJDHBKQQLOPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-13-9-11(15)14-8-5-6-12(2,3)10-14/h4,13H,1,5-10H2,2-3H3.
What are the key properties of 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone?
1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 79280233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).