N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide

C17H25FN2O3S — CID 55682837

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O3S/c1-3-11-24(22,23)20-10-6-8-15(13-20)17(21)19(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3
InChIKeySFRPWOSSDBHEPT-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.24
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55682837) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55682837
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O3S/c1-3-11-24(22,23)20-10-6-8-15(13-20)17(21)19(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3
InChIKeySFRPWOSSDBHEPT-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide (CID 55682837) is N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)N(C)Cc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is SFRPWOSSDBHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-3-11-24(22,23)20-10-6-8-15(13-20)17(21)19(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55682837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).