N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide

C16H23FN2OS — CID 45184081

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H23FN2OS/c1-18(16(20)12-21-2)14-7-5-9-19(11-14)10-13-6-3-4-8-15(13)17/h3-4,6,8,14H,5,7,9-12H2,1-2H3
InChIKeyNJBZEQUXGKYGCE-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.61
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide (PubChem CID 45184081) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide
PubChem CID45184081
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H23FN2OS/c1-18(16(20)12-21-2)14-7-5-9-19(11-14)10-13-6-3-4-8-15(13)17/h3-4,6,8,14H,5,7,9-12H2,1-2H3
InChIKeyNJBZEQUXGKYGCE-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide (CID 45184081) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide is CSCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide?
The InChIKey is NJBZEQUXGKYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-18(16(20)12-21-2)14-7-5-9-19(11-14)10-13-6-3-4-8-15(13)17/h3-4,6,8,14H,5,7,9-12H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide has a molecular weight of 310.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanylacetamide is sourced from PubChem (CID 45184081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).