cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one

C29H53N3O5 — CID 170758370

IUPACcyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one
SMILESCC1(C)C[C@@H]1C(=O)N1CC2(C1)OCCC2C(N)=O.CCCC(=O)N1CCCCC1.OCC1CCCCC1.[H][H]
InChIInChI=1S/C13H20N2O3.C9H17NO.C7H14O.H2/c1-12(2)5-9(12)11(17)15-6-13(7-15)8(10(14)16)3-4-18-13;1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7;/h8-9H,3-7H2,1-2H3,(H2,14,16);2-8H2,1H3;7-8H,1-6H2;1H/t8?,9-;;;/m1.../s1
InChIKeyFEWGSSGWXCWLPG-POOPOWDOSA-N
MW523.76 g/mol
LogP3.74
Rot. Bonds5

About cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one

cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one (PubChem CID 170758370) has the molecular formula C29H53N3O5 and a molecular weight of 523.76 g/mol. Its IUPAC name is cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Namecyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one
PubChem CID170758370
Molecular FormulaC29H53N3O5
Molecular Weight523.76 g/mol
Exact Mass523.40
IUPAC Namecyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one
SMILESCC1(C)C[C@@H]1C(=O)N1CC2(C1)OCCC2C(N)=O.CCCC(=O)N1CCCCC1.OCC1CCCCC1.[H][H]
InChIInChI=1S/C13H20N2O3.C9H17NO.C7H14O.H2/c1-12(2)5-9(12)11(17)15-6-13(7-15)8(10(14)16)3-4-18-13;1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7;/h8-9H,3-7H2,1-2H3,(H2,14,16);2-8H2,1H3;7-8H,1-6H2;1H/t8?,9-;;;/m1.../s1
InChIKeyFEWGSSGWXCWLPG-POOPOWDOSA-N
XLogP3.74
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one with MolForge

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Related Compounds

cyclohexylmethanol;1-piperidin-1-ylbutan-1-one
CID 164604565
(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;ethane;(4-fluoro-4-methylcyclohexyl)methanol;molecular hydrogen;1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 164604314
1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131692868
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
3-(1-butanoylpiperidin-4-yl)propanamide
CID 166192887
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one?
The IUPAC name of cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one (CID 170758370) is cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one?
The canonical SMILES for cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one is CC1(C)C[C@@H]1C(=O)N1CC2(C1)OCCC2C(N)=O.CCCC(=O)N1CCCCC1.OCC1CCCCC1.[H][H].
What is the InChIKey of cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one?
The InChIKey is FEWGSSGWXCWLPG-POOPOWDOSA-N. The full InChI is InChI=1S/C13H20N2O3.C9H17NO.C7H14O.H2/c1-12(2)5-9(12)11(17)15-6-13(7-15)8(10(14)16)3-4-18-13;1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7;/h8-9H,3-7H2,1-2H3,(H2,14,16);2-8H2,1H3;7-8H,1-6H2;1H/t8?,9-;;;/m1.../s1.
What are the key properties of cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one?
cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one has a molecular weight of 523.76 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 170758370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).