[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C22H27F6N3O6 — CID 155832394

IUPAC[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCCC2(CCN(C3CCOC3)C2)C1
InChIInChI=1S/C18H25N3O2.2C2HF3O2/c22-17(15-3-1-7-19-11-15)21-8-2-5-18(14-21)6-9-20(13-18)16-4-10-23-12-16;2*3-2(4,5)1(6)7/h1,3,7,11,16H,2,4-6,8-10,12-14H2;2*(H,6,7)
InChIKeyLITUAOXDOVBJMT-UHFFFAOYSA-N
MW543.46 g/mol
LogP3.07
Rot. Bonds2

About [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832394) has the molecular formula C22H27F6N3O6 and a molecular weight of 543.46 g/mol. Its IUPAC name is [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832394
Molecular FormulaC22H27F6N3O6
Molecular Weight543.46 g/mol
Exact Mass543.18
IUPAC Name[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCCC2(CCN(C3CCOC3)C2)C1
InChIInChI=1S/C18H25N3O2.2C2HF3O2/c22-17(15-3-1-7-19-11-15)21-8-2-5-18(14-21)6-9-20(13-18)16-4-10-23-12-16;2*3-2(4,5)1(6)7/h1,3,7,11,16H,2,4-6,8-10,12-14H2;2*(H,6,7)
InChIKeyLITUAOXDOVBJMT-UHFFFAOYSA-N
XLogP3.07
TPSA120.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
(2-ethylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845554
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
9-(oxolan-3-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155841747
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
pyridin-3-yl-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155861245
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155832394) is [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCCC2(CCN(C3CCOC3)C2)C1.
What is the InChIKey of [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LITUAOXDOVBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2C2HF3O2/c22-17(15-3-1-7-19-11-15)21-8-2-5-18(14-21)6-9-20(13-18)16-4-10-23-12-16;2*3-2(4,5)1(6)7/h1,3,7,11,16H,2,4-6,8-10,12-14H2;2*(H,6,7).
What are the key properties of [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 543.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).