N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide

C18H27FN2OS — CID 118783187

IUPACN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H27FN2OS/c1-2-12-23-14-18(22)20-13-17(21-10-4-3-5-11-21)15-6-8-16(19)9-7-15/h6-9,17H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyWFZMQIFDAVJFRS-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide

N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide (PubChem CID 118783187) has the molecular formula C18H27FN2OS and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
PubChem CID118783187
Molecular FormulaC18H27FN2OS
Molecular Weight338.49 g/mol
Exact Mass338.18
IUPAC NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H27FN2OS/c1-2-12-23-14-18(22)20-13-17(21-10-4-3-5-11-21)15-6-8-16(19)9-7-15/h6-9,17H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyWFZMQIFDAVJFRS-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
CID 124756832
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110623880
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide (CID 118783187) is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide is CCCSCC(=O)NCC(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide?
The InChIKey is WFZMQIFDAVJFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2OS/c1-2-12-23-14-18(22)20-13-17(21-10-4-3-5-11-21)15-6-8-16(19)9-7-15/h6-9,17H,2-5,10-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide?
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide has a molecular weight of 338.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 118783187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).