4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide

C30H30F3N3O3 — CID 90786562

IUPAC4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCC(CC(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)N1CCC2(CC1)OC(=O)Nc1ccc(F)cc12
InChIInChI=1S/C30H30F3N3O3/c1-19(36-14-12-30(13-15-36)26-17-24(33)10-11-27(26)35-29(38)39-30)16-25(21-4-8-23(32)9-5-21)28(37)34-18-20-2-6-22(31)7-3-20/h2-11,17,19,25H,12-16,18H2,1H3,(H,34,37)(H,35,38)
InChIKeyUEJNFWAPYLUQED-UHFFFAOYSA-N
MW537.58 g/mol
LogP5.84
Rot. Bonds7

About 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide

4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 90786562) has the molecular formula C30H30F3N3O3 and a molecular weight of 537.58 g/mol. Its IUPAC name is 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID90786562
Molecular FormulaC30H30F3N3O3
Molecular Weight537.58 g/mol
Exact Mass537.22
IUPAC Name4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCC(CC(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)N1CCC2(CC1)OC(=O)Nc1ccc(F)cc12
InChIInChI=1S/C30H30F3N3O3/c1-19(36-14-12-30(13-15-36)26-17-24(33)10-11-27(26)35-29(38)39-30)16-25(21-4-8-23(32)9-5-21)28(37)34-18-20-2-6-22(31)7-3-20/h2-11,17,19,25H,12-16,18H2,1H3,(H,34,37)(H,35,38)
InChIKeyUEJNFWAPYLUQED-UHFFFAOYSA-N
XLogP5.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide 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 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide (CID 90786562) is 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide is CC(CC(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)N1CCC2(CC1)OC(=O)Nc1ccc(F)cc12.
What is the InChIKey of 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is UEJNFWAPYLUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O3/c1-19(36-14-12-30(13-15-36)26-17-24(33)10-11-27(26)35-29(38)39-30)16-25(21-4-8-23(32)9-5-21)28(37)34-18-20-2-6-22(31)7-3-20/h2-11,17,19,25H,12-16,18H2,1H3,(H,34,37)(H,35,38).
What are the key properties of 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 537.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 90786562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).