[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid

C22H27F3N2O5 — CID 155840655

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(N(C)Cc1ccco1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2O3.C2HF3O2/c1-15-18(5-11-24-15)19(23)22-8-6-20(7-9-22)12-16(13-20)21(2)14-17-4-3-10-25-17;3-2(4,5)1(6)7/h3-5,10-11,16H,6-9,12-14H2,1-2H3;(H,6,7)
InChIKeyLQRHCYZUDRPIJG-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.33
Rot. Bonds4

About [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid

[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155840655) has the molecular formula C22H27F3N2O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155840655
Molecular FormulaC22H27F3N2O5
Molecular Weight456.46 g/mol
Exact Mass456.19
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(N(C)Cc1ccco1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2O3.C2HF3O2/c1-15-18(5-11-24-15)19(23)22-8-6-20(7-9-22)12-16(13-20)21(2)14-17-4-3-10-25-17;3-2(4,5)1(6)7/h3-5,10-11,16H,6-9,12-14H2,1-2H3;(H,6,7)
InChIKeyLQRHCYZUDRPIJG-UHFFFAOYSA-N
XLogP4.33
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155860185
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847839
(2-methylfuran-3-yl)-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743472
[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830535
(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97451253
(2-methylfuran-3-yl)-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155823599
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
8-(5-ethylpyrimidin-2-yl)-N-(furan-2-ylmethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840163
N-(furan-2-ylmethyl)-N-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155868886
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155840655) is [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is Cc1occc1C(=O)N1CCC2(CC1)CC(N(C)Cc1ccco1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is LQRHCYZUDRPIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C2HF3O2/c1-15-18(5-11-24-15)19(23)22-8-6-20(7-9-22)12-16(13-20)21(2)14-17-4-3-10-25-17;3-2(4,5)1(6)7/h3-5,10-11,16H,6-9,12-14H2,1-2H3;(H,6,7).
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid?
[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 456.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).