N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide

C19H20F3N3O2 — CID 176993906

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-1-2-14-12(9-13)10-15(24-14)17(27)23-11-16(26)25-7-5-18(3-4-18)6-8-25/h1-2,9-10,24H,3-8,11H2,(H,23,27)
InChIKeyLOLHIZMVPVRQNI-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.32
Rot. Bonds3

About N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 176993906) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID176993906
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-1-2-14-12(9-13)10-15(24-14)17(27)23-11-16(26)25-7-5-18(3-4-18)6-8-25/h1-2,9-10,24H,3-8,11H2,(H,23,27)
InChIKeyLOLHIZMVPVRQNI-UHFFFAOYSA-N
XLogP3.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
CID 176993954
N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993901
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 176993838
6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
CID 176993893
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 176993906) is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is LOLHIZMVPVRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)13-1-2-14-12(9-13)10-15(24-14)17(27)23-11-16(26)25-7-5-18(3-4-18)6-8-25/h1-2,9-10,24H,3-8,11H2,(H,23,27).
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 176993906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).