bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one

C18H30N2O6 — CID 159543182

IUPACbis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one
SMILESCC1CC(=O)CC(C)N1.CC1NC(C)C(C)C(=O)C1C.O=C=O.O=C=O
InChIInChI=1S/C9H17NO.C7H13NO.2CO2/c1-5-7(3)10-8(4)6(2)9(5)11;1-5-3-7(9)4-6(2)8-5;2*2-1-3/h5-8,10H,1-4H3;5-6,8H,3-4H2,1-2H3;;
InChIKeyMELYPHCSBJFADG-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.76
Rot. Bonds

About bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one

bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one (PubChem CID 159543182) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Namebis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one
PubChem CID159543182
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Namebis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one
SMILESCC1CC(=O)CC(C)N1.CC1NC(C)C(C)C(=O)C1C.O=C=O.O=C=O
InChIInChI=1S/C9H17NO.C7H13NO.2CO2/c1-5-7(3)10-8(4)6(2)9(5)11;1-5-3-7(9)4-6(2)8-5;2*2-1-3/h5-8,10H,1-4H3;5-6,8H,3-4H2,1-2H3;;
InChIKeyMELYPHCSBJFADG-UHFFFAOYSA-N
XLogP0.76
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-dimethylpiperidin-4-one
CID 11040712
6-methyl-4-oxopiperidine-2-carboxylic acid
CID 78053770
2-ethyl-6-methylpiperidin-4-one
CID 85436511
ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
CID 11816280
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one
CID 82406498
2-methylazepan-4-one;hydrochloride
CID 164872779
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273
2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one
CID 82402066
2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one
CID 82401920
6-methylbicyclo[3.1.0]hexan-3-one
CID 69065203

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one?
The IUPAC name of bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one (CID 159543182) is bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one.
What is the SMILES notation for bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one?
The canonical SMILES for bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one is CC1CC(=O)CC(C)N1.CC1NC(C)C(C)C(=O)C1C.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one?
The InChIKey is MELYPHCSBJFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C7H13NO.2CO2/c1-5-7(3)10-8(4)6(2)9(5)11;1-5-3-7(9)4-6(2)8-5;2*2-1-3/h5-8,10H,1-4H3;5-6,8H,3-4H2,1-2H3;;.
What are the key properties of bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one?
bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2,6-dimethylpiperidin-4-one;2,3,5,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 159543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).