1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C15H21FN2O3S — CID 3237090

IUPAC1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)15(19)17-11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyMAFDVQFXODFPNK-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.50
Rot. Bonds5

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

1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3237090) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3237090
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)15(19)17-11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyMAFDVQFXODFPNK-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 3237090) is 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MAFDVQFXODFPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)15(19)17-11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3237090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).