[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid

C20H29F3N2O5 — CID 155830535

IUPAC[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCN(CC)[C@H]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O3.C2HF3O2/c1-4-19(5-2)15-6-11-23-18(12-15)8-9-20(13-18)17(21)16-7-10-22-14(16)3;3-2(4,5)1(6)7/h7,10,15H,4-6,8-9,11-13H2,1-3H3;(H,6,7)/t15-,18+;/m0./s1
InChIKeyOZICAYXWFFPYPO-QVNYQEOOSA-N
MW434.46 g/mol
LogP3.33
Rot. Bonds4

About [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid

[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155830535) has the molecular formula C20H29F3N2O5 and a molecular weight of 434.46 g/mol. Its IUPAC name is [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155830535
Molecular FormulaC20H29F3N2O5
Molecular Weight434.46 g/mol
Exact Mass434.20
IUPAC Name[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCN(CC)[C@H]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O3.C2HF3O2/c1-4-19(5-2)15-6-11-23-18(12-15)8-9-20(13-18)17(21)16-7-10-22-14(16)3;3-2(4,5)1(6)7/h7,10,15H,4-6,8-9,11-13H2,1-3H3;(H,6,7)/t15-,18+;/m0./s1
InChIKeyOZICAYXWFFPYPO-QVNYQEOOSA-N
XLogP3.33
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid 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

[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840655
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 127021945
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851811
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486314
(2-methylfuran-3-yl)-[(3S,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486309
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661
(2-methylfuran-3-yl)-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743472
N,N-diethyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155837859
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methylfuran-3-yl)methanone
CID 97486190
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
(2-methylfuran-3-yl)-[3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131642931

Frequently Asked Questions

What is the IUPAC name of [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155830535) is [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is CCN(CC)[C@H]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is OZICAYXWFFPYPO-QVNYQEOOSA-N. The full InChI is InChI=1S/C18H28N2O3.C2HF3O2/c1-4-19(5-2)15-6-11-23-18(12-15)8-9-20(13-18)17(21)16-7-10-22-14(16)3;3-2(4,5)1(6)7/h7,10,15H,4-6,8-9,11-13H2,1-3H3;(H,6,7)/t15-,18+;/m0./s1.
What are the key properties of [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 434.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).