N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H23FN2O3S — CID 47001049

IUPACN-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19-11-8-14(9-12-19)16(20)18-10-2-3-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyDMVJQRXUSSQJSU-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.55
Rot. Bonds6

About N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47001049) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47001049
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19-11-8-14(9-12-19)16(20)18-10-2-3-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyDMVJQRXUSSQJSU-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
(4-Benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
N-(2-phenylethyl)-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327814
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 3192980
N-[2-(4-methylphenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236510
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 47001049) is N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DMVJQRXUSSQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-23(21,22)19-11-8-14(9-12-19)16(20)18-10-2-3-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47001049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).