ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen

C24H41N3O3 — CID 142322560

IUPACethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen
SMILESC.CC(O)N1CC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)C2)C1.CCO.[H][H]
InChIInChI=1S/C21H29N3O2.C2H6O.CH4.H2/c1-15(25)24-13-20(14-24)10-11-23(12-20)16-6-8-21(9-7-16)17-4-2-3-5-18(17)22-19(21)26;1-2-3;;/h2-5,15-16,25H,6-14H2,1H3,(H,22,26);3H,2H2,1H3;1H4;1H
InChIKeyIQYJBADWFSJDIS-UHFFFAOYSA-N
MW419.61 g/mol
LogP3.05
Rot. Bonds2

About ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen

ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen (PubChem CID 142322560) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen.

Molecular Properties

Compound Nameethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen
PubChem CID142322560
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC Nameethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen
SMILESC.CC(O)N1CC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)C2)C1.CCO.[H][H]
InChIInChI=1S/C21H29N3O2.C2H6O.CH4.H2/c1-15(25)24-13-20(14-24)10-11-23(12-20)16-6-8-21(9-7-16)17-4-2-3-5-18(17)22-19(21)26;1-2-3;;/h2-5,15-16,25H,6-14H2,1H3,(H,22,26);3H,2H2,1H3;1H4;1H
InChIKeyIQYJBADWFSJDIS-UHFFFAOYSA-N
XLogP3.05
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-(4-butanoyl-1,4-diazepan-1-yl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 134431872
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
4-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-1,4-diazepane-1-carboxylic acid
CID 166721147
ethyl 2-[(3R)-1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]acetate
CID 148646150
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
4'-[4-(aminomethyl)piperidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 166721128
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
propan-2-yl 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 70657728
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959223

Frequently Asked Questions

What is the IUPAC name of ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen?
The IUPAC name of 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) is ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen.
What is the SMILES notation for ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen?
The canonical SMILES for ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen is C.CC(O)N1CC2(CCN(C3CCC4(CC3)C(=O)Nc3ccccc34)C2)C1.CCO.[H][H].
What is the InChIKey of ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen?
The InChIKey is IQYJBADWFSJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.C2H6O.CH4.H2/c1-15(25)24-13-20(14-24)10-11-23(12-20)16-6-8-21(9-7-16)17-4-2-3-5-18(17)22-19(21)26;1-2-3;;/h2-5,15-16,25H,6-14H2,1H3,(H,22,26);3H,2H2,1H3;1H4;1H.
What are the key properties of ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen?
ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen has a molecular weight of 419.61 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4'-[2-(1-hydroxyethyl)-2,7-diazaspiro[3.4]octan-7-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one;methane;molecular hydrogen is sourced from PubChem (CID 142322560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).