5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C28H33FN6O — CID 23651709

IUPAC5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H33FN6O/c1-32(2)27(36)35-19-28(22-17-20(29)7-8-25(22)35)11-15-33(16-12-28)21-9-13-34(14-10-21)26-18-30-23-5-3-4-6-24(23)31-26/h3-8,17-18,21H,9-16,19H2,1-2H3
InChIKeySYEOMCIHYSERKC-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.27
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651709) has the molecular formula C28H33FN6O and a molecular weight of 488.61 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651709
Molecular FormulaC28H33FN6O
Molecular Weight488.61 g/mol
Exact Mass488.27
IUPAC Name5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H33FN6O/c1-32(2)27(36)35-19-28(22-17-20(29)7-8-25(22)35)11-15-33(16-12-28)21-9-13-34(14-10-21)26-18-30-23-5-3-4-6-24(23)31-26/h3-8,17-18,21H,9-16,19H2,1-2H3
InChIKeySYEOMCIHYSERKC-UHFFFAOYSA-N
XLogP4.27
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651709) is 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is SYEOMCIHYSERKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O/c1-32(2)27(36)35-19-28(22-17-20(29)7-8-25(22)35)11-15-33(16-12-28)21-9-13-34(14-10-21)26-18-30-23-5-3-4-6-24(23)31-26/h3-8,17-18,21H,9-16,19H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).