[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid

C16H23F3N4O4 — CID 155850676

IUPAC[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC12CCN(C(=O)c1nccn1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-16-8-5-15-12(16)13(19)17-6-3-14(11-17)4-7-18(14)9-10-20-2;3-2(4,5)1(6)7/h5,8H,3-4,6-7,9-11H2,1-2H3;(H,6,7)
InChIKeyGZWJBRTWYGAUKP-UHFFFAOYSA-N
MW392.38 g/mol
LogP0.99
Rot. Bonds4

About [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid

[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155850676) has the molecular formula C16H23F3N4O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155850676
Molecular FormulaC16H23F3N4O4
Molecular Weight392.38 g/mol
Exact Mass392.17
IUPAC Name[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC12CCN(C(=O)c1nccn1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-16-8-5-15-12(16)13(19)17-6-3-14(11-17)4-7-18(14)9-10-20-2;3-2(4,5)1(6)7/h5,8H,3-4,6-7,9-11H2,1-2H3;(H,6,7)
InChIKeyGZWJBRTWYGAUKP-UHFFFAOYSA-N
XLogP0.99
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone
CID 131642632
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742793
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570
[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844409
N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155868295
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
1-(2-methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744727
(1-methylimidazol-2-yl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745318
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155850676) is [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid is COCCN1CCC12CCN(C(=O)c1nccn1C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GZWJBRTWYGAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.C2HF3O2/c1-16-8-5-15-12(16)13(19)17-6-3-14(11-17)4-7-18(14)9-10-20-2;3-2(4,5)1(6)7/h5,8H,3-4,6-7,9-11H2,1-2H3;(H,6,7).
What are the key properties of [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 392.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).