4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide

C22H24FN3O2S — CID 25488924

IUPAC4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24FN3O2S/c23-18-8-4-7-17-19(11-14-29-20(17)18)25-21(27)15-9-12-26(13-10-15)22(28)24-16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeySJEGZIIOIZGHEC-LJQANCHMSA-N
MW413.52 g/mol
LogP4.42
Rot. Bonds3

About 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 25488924) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID25488924
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24FN3O2S/c23-18-8-4-7-17-19(11-14-29-20(17)18)25-21(27)15-9-12-26(13-10-15)22(28)24-16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeySJEGZIIOIZGHEC-LJQANCHMSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-benzyl-1-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-1,4-dicarboxamide
CID 78892471
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
CID 9081500
1-(2,4-difluorobenzoyl)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide
CID 30443832
(2S,4S)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125152144
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 71892979
(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 97079092
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17394546
(2R)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 95759868

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 25488924) is 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is SJEGZIIOIZGHEC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c23-18-8-4-7-17-19(11-14-29-20(17)18)25-21(27)15-9-12-26(13-10-15)22(28)24-16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 25488924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).