2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide

C19H27F3N4O4 — CID 171692982

IUPAC2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CC(COc3ccccn3)CCN2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-19(2)16(22)21-12-17(13-21)10-14(7-9-20(17)3)11-23-15-6-4-5-8-18-15;3-2(4,5)1(6)7/h4-6,8,14H,7,9-13H2,1-3H3;(H,6,7)
InChIKeyDIWXAJHDHUKCPB-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.17
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide

2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 171692982) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID171692982
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC Name2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CC(COc3ccccn3)CCN2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-19(2)16(22)21-12-17(13-21)10-14(7-9-20(17)3)11-23-15-6-4-5-8-18-15;3-2(4,5)1(6)7/h4-6,8,14H,7,9-13H2,1-3H3;(H,6,7)
InChIKeyDIWXAJHDHUKCPB-UHFFFAOYSA-N
XLogP2.17
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155851901
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 124816295
8-(methoxymethyl)-5-methyl-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171693362
(6-methyl-2-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817651
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783
(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131650235
(5-methyl-1,2-oxazol-3-yl)-[(8S)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124814269
N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398
(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124818166
(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124817621

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide (CID 171692982) is 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide is CN(C)C(=O)N1CC2(CC(COc3ccccn3)CCN2C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is DIWXAJHDHUKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2HF3O2/c1-19(2)16(22)21-12-17(13-21)10-14(7-9-20(17)3)11-23-15-6-4-5-8-18-15;3-2(4,5)1(6)7/h4-6,8,14H,7,9-13H2,1-3H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide?
2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 171692982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).