bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide

C18H25F6N5O5 — CID 118746551

IUPACbis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
SMILESCNC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N5O.2C2HF3O2/c1-11-10-16-12-14(17(3)8-9-19(11)12)4-6-18(7-5-14)13(20)15-2;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3,(H,15,20);2*(H,6,7)
InChIKeyAAKZVKWKRXUVGJ-UHFFFAOYSA-N
MW505.42 g/mol
LogP2.03
Rot. Bonds

About bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide

bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide (PubChem CID 118746551) has the molecular formula C18H25F6N5O5 and a molecular weight of 505.42 g/mol. Its IUPAC name is bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Namebis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
PubChem CID118746551
Molecular FormulaC18H25F6N5O5
Molecular Weight505.42 g/mol
Exact Mass505.18
IUPAC Namebis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
SMILESCNC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N5O.2C2HF3O2/c1-11-10-16-12-14(17(3)8-9-19(11)12)4-6-18(7-5-14)13(20)15-2;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3,(H,15,20);2*(H,6,7)
InChIKeyAAKZVKWKRXUVGJ-UHFFFAOYSA-N
XLogP2.03
TPSA128.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide?
The IUPAC name of bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide (CID 118746551) is bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide?
The canonical SMILES for bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide is CNC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide?
The InChIKey is AAKZVKWKRXUVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.2C2HF3O2/c1-11-10-16-12-14(17(3)8-9-19(11)12)4-6-18(7-5-14)13(20)15-2;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3,(H,15,20);2*(H,6,7).
What are the key properties of bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide?
bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide has a molecular weight of 505.42 g/mol, XLogP of 2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 118746551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).