N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide

C14H20FN3O3S — CID 108902217

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-10-8-17(9-11-18)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyTWSGPARDTITCTK-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.65
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 108902217) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID108902217
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-10-8-17(9-11-18)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyTWSGPARDTITCTK-UHFFFAOYSA-N
XLogP0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27532247
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811161
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108891805
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 30886387

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 108902217) is N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is TWSGPARDTITCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-22(20,21)18-10-8-17(9-11-18)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 108902217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).