N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C16H23FN2O3S — CID 1090954

IUPACN,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-9-11-19(12-10-13)23(21,22)15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyLIMCEMGEJBRSHU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds5

About N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1090954) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1090954
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-9-11-19(12-10-13)23(21,22)15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyLIMCEMGEJBRSHU-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
1-(1,3-benzodioxol-5-ylsulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 113005310
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 100798996
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55980411
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723
N-ethyl-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554998
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 1090954) is N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LIMCEMGEJBRSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-9-11-19(12-10-13)23(21,22)15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1090954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).