1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid

C18H27F3N4O5 — CID 155857741

IUPAC1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCOCC2(CCN(C(=O)c3cnc[nH]3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O3.C2HF3O2/c1-22-8-6-19-7-9-23-12-16(11-19)2-4-20(5-3-16)15(21)14-10-17-13-18-14;3-2(4,5)1(6)7/h10,13H,2-9,11-12H2,1H3,(H,17,18);(H,6,7)
InChIKeyRSHHRSLZDZATGW-UHFFFAOYSA-N
MW436.43 g/mol
LogP1.24
Rot. Bonds4

About 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid

1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155857741) has the molecular formula C18H27F3N4O5 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155857741
Molecular FormulaC18H27F3N4O5
Molecular Weight436.43 g/mol
Exact Mass436.19
IUPAC Name1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCOCC2(CCN(C(=O)c3cnc[nH]3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O3.C2HF3O2/c1-22-8-6-19-7-9-23-12-16(11-19)2-4-20(5-3-16)15(21)14-10-17-13-18-14;3-2(4,5)1(6)7/h10,13H,2-9,11-12H2,1H3,(H,17,18);(H,6,7)
InChIKeyRSHHRSLZDZATGW-UHFFFAOYSA-N
XLogP1.24
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155832619
11-(2-methoxyethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155838289
2-(2-methoxyethyl)-10-[(2-methoxy-3-pyridinyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171695201
(4-methoxyphenyl)-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694052
(4-fluorophenyl)-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694300
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
(3,4-dimethylphenyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155856866
[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridin-2-ylmethanone
CID 97472032
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
2-(dimethylamino)-1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone;tris(2,2,2-trifluoroacetic acid)
CID 155857561
2-ethyl-1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 171692772
2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678981

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid (CID 155857741) is 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid is COCCN1CCOCC2(CCN(C(=O)c3cnc[nH]3)CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RSHHRSLZDZATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3.C2HF3O2/c1-22-8-6-19-7-9-23-12-16(11-19)2-4-20(5-3-16)15(21)14-10-17-13-18-14;3-2(4,5)1(6)7/h10,13H,2-9,11-12H2,1H3,(H,17,18);(H,6,7).
What are the key properties of 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid?
1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 436.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).