1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C20H24FN5O3 — CID 155902292

IUPAC1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C20H24FN5O3/c21-15-3-1-14(2-4-15)5-8-24-19(28)25-10-6-20(7-11-25)18-23-9-12-26(18)13-16(29-20)17(22)27/h1-4,9,12,16H,5-8,10-11,13H2,(H2,22,27)(H,24,28)
InChIKeyILIGOXMRCSOVOP-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.15
Rot. Bonds4

About 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 155902292) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID155902292
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Name1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C20H24FN5O3/c21-15-3-1-14(2-4-15)5-8-24-19(28)25-10-6-20(7-11-25)18-23-9-12-26(18)13-16(29-20)17(22)27/h1-4,9,12,16H,5-8,10-11,13H2,(H2,22,27)(H,24,28)
InChIKeyILIGOXMRCSOVOP-UHFFFAOYSA-N
XLogP1.15
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 155902292) is 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is NC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is ILIGOXMRCSOVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3/c21-15-3-1-14(2-4-15)5-8-24-19(28)25-10-6-20(7-11-25)18-23-9-12-26(18)13-16(29-20)17(22)27/h1-4,9,12,16H,5-8,10-11,13H2,(H2,22,27)(H,24,28).
What are the key properties of 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(4-fluorophenyl)ethyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 155902292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).