[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid

C21H26F3N3O4 — CID 155869745

IUPAC[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O2.C2HF3O2/c1-20-7-5-15-11-16(3-4-17(15)20)18(23)22-13-19(14-22)6-8-21(12-19)9-10-24-2;3-2(4,5)1(6)7/h3-5,7,11H,6,8-10,12-14H2,1-2H3;(H,6,7)
InChIKeyRGTMISLMHNBNAV-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.61
Rot. Bonds4

About [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid

[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155869745) has the molecular formula C21H26F3N3O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155869745
Molecular FormulaC21H26F3N3O4
Molecular Weight441.45 g/mol
Exact Mass441.19
IUPAC Name[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O2.C2HF3O2/c1-20-7-5-15-11-16(3-4-17(15)20)18(23)22-13-19(14-22)6-8-21(12-19)9-10-24-2;3-2(4,5)1(6)7/h3-5,7,11H,6,8-10,12-14H2,1-2H3;(H,6,7)
InChIKeyRGTMISLMHNBNAV-UHFFFAOYSA-N
XLogP2.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155860608
7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
CID 166281669
[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]methanone
CID 163266718
(1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155864082
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
CID 131692294
1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 97392820
10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155832619
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155835644
[(3aR,7aR)-5-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155838584
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694714
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
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

Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid (CID 155869745) is [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid is COCCN1CCC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RGTMISLMHNBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.C2HF3O2/c1-20-7-5-15-11-16(3-4-17(15)20)18(23)22-13-19(14-22)6-8-21(12-19)9-10-24-2;3-2(4,5)1(6)7/h3-5,7,11H,6,8-10,12-14H2,1-2H3;(H,6,7).
What are the key properties of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid?
[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 441.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).