1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide

C14H19FN2OS — CID 9442986

IUPAC1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCSc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2OS/c15-12-3-1-2-4-13(12)19-10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyOXOCGZRKNQEDDI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide

1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide (PubChem CID 9442986) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
PubChem CID9442986
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCSc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2OS/c15-12-3-1-2-4-13(12)19-10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyOXOCGZRKNQEDDI-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide (CID 9442986) is 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCSc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide?
The InChIKey is OXOCGZRKNQEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c15-12-3-1-2-4-13(12)19-10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18).
What are the key properties of 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide?
1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9442986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).