N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

C21H22FN3O2 — CID 155573755

IUPACN-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Nc2ccc(F)cc21
InChIInChI=1S/C21H22FN3O2/c22-16-6-7-18-17(12-16)19(26)13-21(24-18)8-10-25(11-9-21)20(27)23-14-15-4-2-1-3-5-15/h1-7,12,24H,8-11,13-14H2,(H,23,27)
InChIKeyPGKCYWBYQSTHQP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.57
Rot. Bonds2

About N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155573755) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
PubChem CID155573755
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Nc2ccc(F)cc21
InChIInChI=1S/C21H22FN3O2/c22-16-6-7-18-17(12-16)19(26)13-21(24-18)8-10-25(11-9-21)20(27)23-14-15-4-2-1-3-5-15/h1-7,12,24H,8-11,13-14H2,(H,23,27)
InChIKeyPGKCYWBYQSTHQP-UHFFFAOYSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
N-(2H-benzimidazol-5-ylmethyl)-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167612755
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948
6-fluoro-N-[[4-fluoro-3-(3-methoxyazetidin-1-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573776
6,8-difluoro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573811
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
CID 166516924
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573937
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
(4S)-8-[(3-fluorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97130935

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (CID 155573755) is N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Nc2ccc(F)cc21.
What is the InChIKey of N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is PGKCYWBYQSTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-16-6-7-18-17(12-16)19(26)13-21(24-18)8-10-25(11-9-21)20(27)23-14-15-4-2-1-3-5-15/h1-7,12,24H,8-11,13-14H2,(H,23,27).
What are the key properties of N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).