6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide

C21H22F2N2O3 — CID 167640852

IUPAC6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESCc1occc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)cc(F)c1C2
InChIInChI=1S/C21H22F2N2O3/c1-13-14(2-7-28-13)12-24-20(27)25-5-3-21(4-6-25)10-17-16(19(26)11-21)8-15(22)9-18(17)23/h2,7-9H,3-6,10-12H2,1H3,(H,24,27)
InChIKeyQHIJRTIBBFFVDQ-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.99
Rot. Bonds2

About 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide

6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (PubChem CID 167640852) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
PubChem CID167640852
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESCc1occc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)cc(F)c1C2
InChIInChI=1S/C21H22F2N2O3/c1-13-14(2-7-28-13)12-24-20(27)25-5-3-21(4-6-25)10-17-16(19(26)11-21)8-15(22)9-18(17)23/h2,7-9H,3-6,10-12H2,1H3,(H,24,27)
InChIKeyQHIJRTIBBFFVDQ-UHFFFAOYSA-N
XLogP3.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167709873
6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 167592857
N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167601211
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
6,8-difluoro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573811
(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
CID 167637368
N-[(4-amino-2,3-difluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;4-(aminomethyl)-2,3-difluoroaniline;deuterio(iodo)methane;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 167643044
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 71967644
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 166585913

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (CID 167640852) is 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is Cc1occc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)cc(F)c1C2.
What is the InChIKey of 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is QHIJRTIBBFFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-13-14(2-7-28-13)12-24-20(27)25-5-3-21(4-6-25)10-17-16(19(26)11-21)8-15(22)9-18(17)23/h2,7-9H,3-6,10-12H2,1H3,(H,24,27).
What are the key properties of 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 167640852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).