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

C22H28FN5O3 — CID 155900708

IUPAC6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H28FN5O3/c1-3-26(4-2)19(29)18-15-28-14-11-24-20(28)22(31-18)9-12-27(13-10-22)21(30)25-17-7-5-16(23)6-8-17/h5-8,11,14,18H,3-4,9-10,12-13,15H2,1-2H3,(H,25,30)
InChIKeyNEKUWZBWUQZHGT-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.81
Rot. Bonds4

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

6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 155900708) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID155900708
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H28FN5O3/c1-3-26(4-2)19(29)18-15-28-14-11-24-20(28)22(31-18)9-12-27(13-10-22)21(30)25-17-7-5-16(23)6-8-17/h5-8,11,14,18H,3-4,9-10,12-13,15H2,1-2H3,(H,25,30)
InChIKeyNEKUWZBWUQZHGT-UHFFFAOYSA-N
XLogP2.81
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 155900708) is 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is NEKUWZBWUQZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-3-26(4-2)19(29)18-15-28-14-11-24-20(28)22(31-18)9-12-27(13-10-22)21(30)25-17-7-5-16(23)6-8-17/h5-8,11,14,18H,3-4,9-10,12-13,15H2,1-2H3,(H,25,30).
What are the key properties of 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 155900708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).