N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide

C16H23FN2O3S — CID 3319672

IUPACN-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-2-11-23(21,22)19-9-7-14(8-10-19)16(20)18-12-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20)
InChIKeyUWTDQNSSQHFUNV-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.89
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3319672) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3319672
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-2-11-23(21,22)19-9-7-14(8-10-19)16(20)18-12-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20)
InChIKeyUWTDQNSSQHFUNV-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 3319672) is N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is UWTDQNSSQHFUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-11-23(21,22)19-9-7-14(8-10-19)16(20)18-12-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3319672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).