ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione

C49H70N6O7 — CID 159394805

IUPACethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESC.CCOC(=O)N1CCC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)CC2)C1.CCOC(=O)N1CCC2(CCNCC2)C1.O=C1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H33N3O3.C13H13NO2.C11H20N2O2.CH4/c1-2-30-22(29)27-16-13-23(17-27)11-14-26(15-12-23)18-7-9-24(10-8-18)19-5-3-4-6-20(19)25-21(24)28;15-9-5-7-13(8-6-9)10-3-1-2-4-11(10)14-12(13)16;1-2-15-10(14)13-8-5-11(9-13)3-6-12-7-4-11;/h3-6,18H,2,7-17H2,1H3,(H,25,28);1-4H,5-8H2,(H,14,16);12H,2-9H2,1H3;1H4
InChIKeyLMOPUDQLWBTXEG-UHFFFAOYSA-N
MW855.13 g/mol
LogP7.64
Rot. Bonds3

About ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione

ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 159394805) has the molecular formula C49H70N6O7 and a molecular weight of 855.13 g/mol. Its IUPAC name is ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Nameethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID159394805
Molecular FormulaC49H70N6O7
Molecular Weight855.13 g/mol
Exact Mass854.53
IUPAC Nameethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESC.CCOC(=O)N1CCC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)CC2)C1.CCOC(=O)N1CCC2(CCNCC2)C1.O=C1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H33N3O3.C13H13NO2.C11H20N2O2.CH4/c1-2-30-22(29)27-16-13-23(17-27)11-14-26(15-12-23)18-7-9-24(10-8-18)19-5-3-4-6-20(19)25-21(24)28;15-9-5-7-13(8-6-9)10-3-1-2-4-11(10)14-12(13)16;1-2-15-10(14)13-8-5-11(9-13)3-6-12-7-4-11;/h3-6,18H,2,7-17H2,1H3,(H,25,28);1-4H,5-8H2,(H,14,16);12H,2-9H2,1H3;1H4
InChIKeyLMOPUDQLWBTXEG-UHFFFAOYSA-N
XLogP7.64
TPSA149.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.13
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione with MolForge

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Related Compounds

ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
ethyl 2-[(3R)-1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]acetate
CID 148646150
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
4'-(4-butanoyl-1,4-diazepan-1-yl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 134431872
ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen
CID 142322560
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
4'-[4-(aminomethyl)piperidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 166721128
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
4-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-1,4-diazepane-1-carboxylic acid
CID 166721147
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
propan-2-yl 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 70657728

Frequently Asked Questions

What is the IUPAC name of ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (CID 159394805) is ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is C.CCOC(=O)N1CCC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)CC2)C1.CCOC(=O)N1CCC2(CCNCC2)C1.O=C1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is LMOPUDQLWBTXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3.C13H13NO2.C11H20N2O2.CH4/c1-2-30-22(29)27-16-13-23(17-27)11-14-26(15-12-23)18-7-9-24(10-8-18)19-5-3-4-6-20(19)25-21(24)28;15-9-5-7-13(8-6-9)10-3-1-2-4-11(10)14-12(13)16;1-2-15-10(14)13-8-5-11(9-13)3-6-12-7-4-11;/h3-6,18H,2,7-17H2,1H3,(H,25,28);1-4H,5-8H2,(H,14,16);12H,2-9H2,1H3;1H4.
What are the key properties of ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 855.13 g/mol, XLogP of 7.64, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 159394805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).