N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid

C22H24F3N3O5S — CID 155868815

IUPACN-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3S.C2HF3O2/c24-18(11-16-4-2-10-27-16)23-13-17(20(14-23)5-8-26-9-6-20)19(25)22-15-3-1-7-21-12-15;3-2(4,5)1(6)7/h1-4,7,10,12,17H,5-6,8-9,11,13-14H2,(H,22,25);(H,6,7)
InChIKeyAUYXMHIXJTVVLF-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.21
Rot. Bonds4

About N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid

N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155868815) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155868815
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC NameN-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3S.C2HF3O2/c24-18(11-16-4-2-10-27-16)23-13-17(20(14-23)5-8-26-9-6-20)19(25)22-15-3-1-7-21-12-15;3-2(4,5)1(6)7/h1-4,7,10,12,17H,5-6,8-9,11,13-14H2,(H,22,25);(H,6,7)
InChIKeyAUYXMHIXJTVVLF-UHFFFAOYSA-N
XLogP3.21
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methylphenyl)acetyl]-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155838857
2-N-(4-ethylphenyl)-4-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155838813
N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831816
2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
CID 155873009
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131654795
1-[(3aS,7aR)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155854300
N-propan-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831850
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155868815) is N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cccnc1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AUYXMHIXJTVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.C2HF3O2/c24-18(11-16-4-2-10-27-16)23-13-17(20(14-23)5-8-26-9-6-20)19(25)22-15-3-1-7-21-12-15;3-2(4,5)1(6)7/h1-4,7,10,12,17H,5-6,8-9,11,13-14H2,(H,22,25);(H,6,7).
What are the key properties of N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 499.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).