1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid

C23H30F3N3O4 — CID 155855375

IUPAC1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCOCC2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O2.C2HF3O2/c1-16(2)23-10-11-26-15-21(13-23)8-5-9-24(14-21)20(25)19-12-17-6-3-4-7-18(17)22-19;3-2(4,5)1(6)7/h3-4,6-7,12,16,22H,5,8-11,13-15H2,1-2H3;(H,6,7)
InChIKeyDSNWLGRAFDIVKN-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.76
Rot. Bonds2

About 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid

1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155855375) has the molecular formula C23H30F3N3O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155855375
Molecular FormulaC23H30F3N3O4
Molecular Weight469.50 g/mol
Exact Mass469.22
IUPAC Name1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCOCC2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O2.C2HF3O2/c1-16(2)23-10-11-26-15-21(13-23)8-5-9-24(14-21)20(25)19-12-17-6-3-4-7-18(17)22-19;3-2(4,5)1(6)7/h3-4,6-7,12,16,22H,5,8-11,13-15H2,1-2H3;(H,6,7)
InChIKeyDSNWLGRAFDIVKN-UHFFFAOYSA-N
XLogP3.76
TPSA85.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398083
(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
CID 131657267
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
furan-3-yl-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838373
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155855375) is 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid is CC(C)N1CCOCC2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is DSNWLGRAFDIVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.C2HF3O2/c1-16(2)23-10-11-26-15-21(13-23)8-5-9-24(14-21)20(25)19-12-17-6-3-4-7-18(17)22-19;3-2(4,5)1(6)7/h3-4,6-7,12,16,22H,5,8-11,13-15H2,1-2H3;(H,6,7).
What are the key properties of 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?
1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 469.50 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).