N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide

C17H22ClFN2O2S — CID 25451687

IUPACN-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCSCC(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClFN2O2S/c1-24-11-17(23)21-8-6-12(7-9-21)2-5-16(22)20-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,22)
InChIKeyHZPVFOGDJVWHOG-UHFFFAOYSA-N
MW372.89 g/mol
LogP3.80
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide (PubChem CID 25451687) has the molecular formula C17H22ClFN2O2S and a molecular weight of 372.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
PubChem CID25451687
Molecular FormulaC17H22ClFN2O2S
Molecular Weight372.89 g/mol
Exact Mass372.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCSCC(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClFN2O2S/c1-24-11-17(23)21-8-6-12(7-9-21)2-5-16(22)20-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,22)
InChIKeyHZPVFOGDJVWHOG-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119325792
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide (CID 25451687) is N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide is CSCC(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The InChIKey is HZPVFOGDJVWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2S/c1-24-11-17(23)21-8-6-12(7-9-21)2-5-16(22)20-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide has a molecular weight of 372.89 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25451687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).