methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate

C15H18FNO3S — CID 43403823

IUPACmethyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3S/c1-20-15(19)11-6-8-17(9-7-11)14(18)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3
InChIKeyLZVOMOQAHOZXDW-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.33
Rot. Bonds4

About methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate

methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate (PubChem CID 43403823) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate
PubChem CID43403823
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Namemethyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3S/c1-20-15(19)11-6-8-17(9-7-11)14(18)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3
InChIKeyLZVOMOQAHOZXDW-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate (CID 43403823) is methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1.
What is the InChIKey of methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate?
The InChIKey is LZVOMOQAHOZXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c1-20-15(19)11-6-8-17(9-7-11)14(18)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3.
What are the key properties of methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate?
methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43403823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).