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

C20H29F6N5O5 — CID 118745937

IUPAC7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O.2C2HF3O2/c1-5-20-10-11-21-13(2)12-17-14(21)16(20)6-8-19(9-7-16)15(22)18(3)4;2*3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;2*(H,6,7)
InChIKeyWDUYNPBUCGSZKL-UHFFFAOYSA-N
MW533.47 g/mol
LogP2.77
Rot. Bonds1

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

7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745937) has the molecular formula C20H29F6N5O5 and a molecular weight of 533.47 g/mol. Its IUPAC name is 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745937
Molecular FormulaC20H29F6N5O5
Molecular Weight533.47 g/mol
Exact Mass533.21
IUPAC Name7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O.2C2HF3O2/c1-5-20-10-11-21-13(2)12-17-14(21)16(20)6-8-19(9-7-16)15(22)18(3)4;2*3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;2*(H,6,7)
InChIKeyWDUYNPBUCGSZKL-UHFFFAOYSA-N
XLogP2.77
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118745937) is 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCN1CCn2c(C)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WDUYNPBUCGSZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2C2HF3O2/c1-5-20-10-11-21-13(2)12-17-14(21)16(20)6-8-19(9-7-16)15(22)18(3)4;2*3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;2*(H,6,7).
What are the key properties of 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)?
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 533.47 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).