N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C23H28FN3O3S — CID 133168284

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H28FN3O3S/c24-20-8-10-21(11-9-20)31(29,30)27-15-3-6-19(17-27)23(28)25-13-4-14-26-16-12-18-5-1-2-7-22(18)26/h1-2,5,7-11,19H,3-4,6,12-17H2,(H,25,28)
InChIKeyJXORTLPIRSRJCF-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.80
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 133168284) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID133168284
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H28FN3O3S/c24-20-8-10-21(11-9-20)31(29,30)27-15-3-6-19(17-27)23(28)25-13-4-14-26-16-12-18-5-1-2-7-22(18)26/h1-2,5,7-11,19H,3-4,6,12-17H2,(H,25,28)
InChIKeyJXORTLPIRSRJCF-UHFFFAOYSA-N
XLogP2.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38463572
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(benzenesulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-3-carboxamide
CID 133167879
1-(4-fluorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 43066980
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
(3S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073544
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
1-(benzenesulfonyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 46438856

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 133168284) is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(NCCCN1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JXORTLPIRSRJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c24-20-8-10-21(11-9-20)31(29,30)27-15-3-6-19(17-27)23(28)25-13-4-14-26-16-12-18-5-1-2-7-22(18)26/h1-2,5,7-11,19H,3-4,6,12-17H2,(H,25,28).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133168284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).