(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone

C17H19FN4O — CID 7694170

IUPAC(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)NCCc1[nH]cnc12
InChIInChI=1S/C17H19FN4O/c18-13-3-1-2-12(10-13)16(23)22-8-5-17(6-9-22)15-14(4-7-21-17)19-11-20-15/h1-3,10-11,21H,4-9H2,(H,19,20)
InChIKeyRFRVWWPASKSOIL-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.83
Rot. Bonds1

About (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone

(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone (PubChem CID 7694170) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone
PubChem CID7694170
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)NCCc1[nH]cnc12
InChIInChI=1S/C17H19FN4O/c18-13-3-1-2-12(10-13)16(23)22-8-5-17(6-9-22)15-14(4-7-21-17)19-11-20-15/h1-3,10-11,21H,4-9H2,(H,19,20)
InChIKeyRFRVWWPASKSOIL-UHFFFAOYSA-N
XLogP1.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone (CID 7694170) is (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone is O=C(c1cccc(F)c1)N1CCC2(CC1)NCCc1[nH]cnc12.
What is the InChIKey of (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone?
The InChIKey is RFRVWWPASKSOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-13-3-1-2-12(10-13)16(23)22-8-5-17(6-9-22)15-14(4-7-21-17)19-11-20-15/h1-3,10-11,21H,4-9H2,(H,19,20).
What are the key properties of (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone?
(3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 7694170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).