2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid

C15H18FNO3S — CID 61011210

IUPAC2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3S/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyWNZKZGCXCTUZPC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid

2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid (PubChem CID 61011210) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
PubChem CID61011210
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3S/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyWNZKZGCXCTUZPC-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-(4-Fluorophenylthio)acetamido)hexanoic acid
CID 43237977
1-[2-(2-Fluorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 43092127
1-[2-(2-Fluorophenyl)sulfanylacetyl]piperidine-2-carboxylic acid
CID 43092210
1-[2-(3,4-Difluorophenyl)sulfanylacetyl]piperidine-2-carboxylic acid
CID 43132285
6-[[2-(2-Fluorophenyl)sulfanylacetyl]amino]hexanoic acid
CID 43237999
6-[3-(4-Fluorophenyl)sulfanylpropanoylamino]hexanoic acid
CID 43238435
1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 43239630
1-[3-(4-Fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 43239660
1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidine-2-carboxylic acid
CID 43239884
1-[3-(4-Fluorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 43239914
7-[[2-(4-Fluorophenyl)sulfanylacetyl]amino]heptanoic acid
CID 43240074
7-[[2-(2-Fluorophenyl)sulfanylacetyl]amino]heptanoic acid
CID 43240082

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid (CID 61011210) is 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The InChIKey is WNZKZGCXCTUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).