N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide

C23H26F3N5O2 — CID 146440447

IUPACN-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESO=C(NC1CC2COCC(C1)N2)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2
InChIInChI=1S/C23H26F3N5O2/c24-23(25,26)16-1-2-18(20-19(16)27-5-6-28-20)31-9-17(22(12-31)3-4-22)21(32)30-13-7-14-10-33-11-15(8-13)29-14/h1-2,5-6,13-15,17,29H,3-4,7-12H2,(H,30,32)
InChIKeyMONKKYYPSOQKLA-UHFFFAOYSA-N
MW461.49 g/mol
LogP2.50
Rot. Bonds3

About N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide

N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide (PubChem CID 146440447) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
PubChem CID146440447
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESO=C(NC1CC2COCC(C1)N2)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2
InChIInChI=1S/C23H26F3N5O2/c24-23(25,26)16-1-2-18(20-19(16)27-5-6-28-20)31-9-17(22(12-31)3-4-22)21(32)30-13-7-14-10-33-11-15(8-13)29-14/h1-2,5-6,13-15,17,29H,3-4,7-12H2,(H,30,32)
InChIKeyMONKKYYPSOQKLA-UHFFFAOYSA-N
XLogP2.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The IUPAC name of N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide (CID 146440447) is N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide.
What is the SMILES notation for N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The canonical SMILES for N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide is O=C(NC1CC2COCC(C1)N2)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2.
What is the InChIKey of N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The InChIKey is MONKKYYPSOQKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c24-23(25,26)16-1-2-18(20-19(16)27-5-6-28-20)31-9-17(22(12-31)3-4-22)21(32)30-13-7-14-10-33-11-15(8-13)29-14/h1-2,5-6,13-15,17,29H,3-4,7-12H2,(H,30,32).
What are the key properties of N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide is sourced from PubChem (CID 146440447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).