1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene

C16H31NO2 — CID 142110127

IUPAC1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene
SMILESC=CC.CC.CC(=O)C1CCCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO2.C3H6.C2H6/c1-8(2)11(14)12-7-5-4-6-10(12)9(3)13;1-3-2;1-2/h8,10H,4-7H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyCQBRVTYBEDWVBY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.83
Rot. Bonds2

About 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene

1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene (PubChem CID 142110127) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene.

Molecular Properties

Compound Name1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene
PubChem CID142110127
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene
SMILESC=CC.CC.CC(=O)C1CCCCN1C(=O)C(C)C
InChIInChI=1S/C11H19NO2.C3H6.C2H6/c1-8(2)11(14)12-7-5-4-6-10(12)9(3)13;1-3-2;1-2/h8,10H,4-7H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyCQBRVTYBEDWVBY-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene?
The IUPAC name of 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene (CID 142110127) is 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene.
What is the SMILES notation for 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene?
The canonical SMILES for 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene is C=CC.CC.CC(=O)C1CCCCN1C(=O)C(C)C.
What is the InChIKey of 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene?
The InChIKey is CQBRVTYBEDWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C3H6.C2H6/c1-8(2)11(14)12-7-5-4-6-10(12)9(3)13;1-3-2;1-2/h8,10H,4-7H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene?
1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene has a molecular weight of 269.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene is sourced from PubChem (CID 142110127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).