N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide

C15H21FN2O3S — CID 119333674

IUPACN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)12-4-3-7-17-9-12)11-5-6-14(13(16)8-11)22(2,20)21/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyFHAKMQQYDCZBBJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide

N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 119333674) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID119333674
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)12-4-3-7-17-9-12)11-5-6-14(13(16)8-11)22(2,20)21/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyFHAKMQQYDCZBBJ-UHFFFAOYSA-N
XLogP1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide (CID 119333674) is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is FHAKMQQYDCZBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-10(18-15(19)12-4-3-7-17-9-12)11-5-6-14(13(16)8-11)22(2,20)21/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119333674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).