N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H17FN2O3S — CID 2991521

IUPACN-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyLMYUXEJSXBBDNT-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.44
Rot. Bonds3

About N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2991521) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2991521
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyLMYUXEJSXBBDNT-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 2900552
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990495
N-(2-chlorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 6460089
N-(3,4-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583486
(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 139267759
1-[3-(3,4-Difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 771678
2,2-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
CID 824048
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
1-(ethylsulfonyl)-N-(3-fluorophenyl)-4-piperidinecarboxamide
CID 2953659
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2991521) is N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is LMYUXEJSXBBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-2-3-10(9-16)13(17)15-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2991521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).