4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide

C23H26FN3O2 — CID 166632067

IUPAC4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-16(25-22(29)17-6-8-18(24)9-7-17)15-27-12-10-23(11-13-27)14-21(28)26-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
InChIKeyMJFKEOMGTUZOQS-INIZCTEOSA-N
MW395.48 g/mol
LogP3.32
Rot. Bonds4

About 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide

4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide (PubChem CID 166632067) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
PubChem CID166632067
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-16(25-22(29)17-6-8-18(24)9-7-17)15-27-12-10-23(11-13-27)14-21(28)26-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
InChIKeyMJFKEOMGTUZOQS-INIZCTEOSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide (CID 166632067) is 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide is C[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide?
The InChIKey is MJFKEOMGTUZOQS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(25-22(29)17-6-8-18(24)9-7-17)15-27-12-10-23(11-13-27)14-21(28)26-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide?
4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide is sourced from PubChem (CID 166632067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).