1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide

C22H27FN2O3S — CID 100653742

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1C
InChIInChI=1S/C22H27FN2O3S/c1-3-21(20-7-5-4-6-16(20)2)24-22(26)17-12-14-25(15-13-17)29(27,28)19-10-8-18(23)9-11-19/h4-11,17,21H,3,12-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyXNRRKFPAXCLIDB-NRFANRHFSA-N
MW418.53 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 100653742) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID100653742
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1C
InChIInChI=1S/C22H27FN2O3S/c1-3-21(20-7-5-4-6-16(20)2)24-22(26)17-12-14-25(15-13-17)29(27,28)19-10-8-18(23)9-11-19/h4-11,17,21H,3,12-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyXNRRKFPAXCLIDB-NRFANRHFSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100671673
1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55907091
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100676832
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46441707
N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56572333
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide (CID 100653742) is 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1C.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is XNRRKFPAXCLIDB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-3-21(20-7-5-4-6-16(20)2)24-22(26)17-12-14-25(15-13-17)29(27,28)19-10-8-18(23)9-11-19/h4-11,17,21H,3,12-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 100653742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).