ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol

C19H35N3O2S — CID 135161836

IUPACethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol
SMILESCCOC(O)N1CCC2(CC(N3CCC(N4CCSCC4)CC3)C2)C1
InChIInChI=1S/C19H35N3O2S/c1-2-24-18(23)22-8-5-19(15-22)13-17(14-19)20-6-3-16(4-7-20)21-9-11-25-12-10-21/h16-18,23H,2-15H2,1H3
InChIKeyLEOVRSDXQNKVHV-UHFFFAOYSA-N
MW369.58 g/mol
LogP1.67
Rot. Bonds5

About ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol

ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol (PubChem CID 135161836) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol.

Molecular Properties

Compound Nameethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol
PubChem CID135161836
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC Nameethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol
SMILESCCOC(O)N1CCC2(CC(N3CCC(N4CCSCC4)CC3)C2)C1
InChIInChI=1S/C19H35N3O2S/c1-2-24-18(23)22-8-5-19(15-22)13-17(14-19)20-6-3-16(4-7-20)21-9-11-25-12-10-21/h16-18,23H,2-15H2,1H3
InChIKeyLEOVRSDXQNKVHV-UHFFFAOYSA-N
XLogP1.67
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octan-6-yl]-ethoxymethanol
CID 135161992
(2R)-1-[1-[6-[ethoxy(hydroxy)methyl]-6-azaspiro[3.4]octan-2-yl]piperidin-4-yl]-4,4-difluoro-N-methoxypyrrolidine-2-carboxamide
CID 135161900
ethoxy-[2-[4-[2-(2-methyl-1,3-dihydrotetrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octan-6-yl]methanol
CID 135161833
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
ethyl 2-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303202
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295160
4-thia-1-azabicyclo[5.2.0]nonane
CID 118209966
methyl (4S)-3-[1-(6-ethoxycarbonyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-1,3-thiazolidine-4-carboxylate
CID 118295219
2-[4-[ethyl(methoxy)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408012
ethyl 2-[4-[1-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 123164686
ethyl 2-(4-butanoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 140909628
ethyl 2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511707

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol?
The IUPAC name of ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol (CID 135161836) is ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol.
What is the SMILES notation for ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol?
The canonical SMILES for ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol is CCOC(O)N1CCC2(CC(N3CCC(N4CCSCC4)CC3)C2)C1.
What is the InChIKey of ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol?
The InChIKey is LEOVRSDXQNKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-2-24-18(23)22-8-5-19(15-22)13-17(14-19)20-6-3-16(4-7-20)21-9-11-25-12-10-21/h16-18,23H,2-15H2,1H3.
What are the key properties of ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol?
ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol has a molecular weight of 369.58 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]methanol is sourced from PubChem (CID 135161836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).