morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid

C20H27F3N2O5S — CID 155829085

IUPACmorpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CN(Cc2cccs2)CC12CCOCC2)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3S.C2HF3O2/c21-17(20-5-9-23-10-6-20)16-13-19(12-15-2-1-11-24-15)14-18(16)3-7-22-8-4-18;3-2(4,5)1(6)7/h1-2,11,16H,3-10,12-14H2;(H,6,7)
InChIKeyYTFLIWVTQPEIKC-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.47
Rot. Bonds3

About morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid

morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155829085) has the molecular formula C20H27F3N2O5S and a molecular weight of 464.51 g/mol. Its IUPAC name is morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155829085
Molecular FormulaC20H27F3N2O5S
Molecular Weight464.51 g/mol
Exact Mass464.16
IUPAC Namemorpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CN(Cc2cccs2)CC12CCOCC2)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3S.C2HF3O2/c21-17(20-5-9-23-10-6-20)16-13-19(12-15-2-1-11-24-15)14-18(16)3-7-22-8-4-18;3-2(4,5)1(6)7/h1-2,11,16H,3-10,12-14H2;(H,6,7)
InChIKeyYTFLIWVTQPEIKC-UHFFFAOYSA-N
XLogP2.47
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[2-(pyridin-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155841370
[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375381
morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 97375379
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375290
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155868815
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
10-cyclopropylsulfonyl-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 155834780
(5R,9R)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851278
2-(pyridin-3-ylmethyl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171689920
2-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598729

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155829085) is morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CN(Cc2cccs2)CC12CCOCC2)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is YTFLIWVTQPEIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.C2HF3O2/c21-17(20-5-9-23-10-6-20)16-13-19(12-15-2-1-11-24-15)14-18(16)3-7-22-8-4-18;3-2(4,5)1(6)7/h1-2,11,16H,3-10,12-14H2;(H,6,7).
What are the key properties of morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid?
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 464.51 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).