azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane

C12H24N2O2 — CID 142359171

IUPACazetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane
SMILESCC.CC1C[C@H](C(=O)N2CCC2)CN(O)C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-8-5-9(7-12(14)6-8)10(13)11-3-2-4-11;1-2/h8-9,14H,2-7H2,1H3;1-2H3/t8?,9-;/m0./s1
InChIKeyLTHJSQCTHJNGMJ-MTFPJWTKSA-N
MW228.34 g/mol
LogP1.59
Rot. Bonds1

About azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane

azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane (PubChem CID 142359171) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane.

Molecular Properties

Compound Nameazetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane
PubChem CID142359171
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameazetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane
SMILESCC.CC1C[C@H](C(=O)N2CCC2)CN(O)C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-8-5-9(7-12(14)6-8)10(13)11-3-2-4-11;1-2/h8-9,14H,2-7H2,1H3;1-2H3/t8?,9-;/m0./s1
InChIKeyLTHJSQCTHJNGMJ-MTFPJWTKSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 110021788
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 131684368
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943843
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane?
The IUPAC name of azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane (CID 142359171) is azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane.
What is the SMILES notation for azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane?
The canonical SMILES for azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane is CC.CC1C[C@H](C(=O)N2CCC2)CN(O)C1.
What is the InChIKey of azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane?
The InChIKey is LTHJSQCTHJNGMJ-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-8-5-9(7-12(14)6-8)10(13)11-3-2-4-11;1-2/h8-9,14H,2-7H2,1H3;1-2H3/t8?,9-;/m0./s1.
What are the key properties of azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane?
azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane has a molecular weight of 228.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane is sourced from PubChem (CID 142359171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).