N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide

C20H24FN3OS — CID 24791399

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ccncc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3
InChIKeyFALWUVFFLVTECV-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.44
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 24791399) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
PubChem CID24791399
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ccncc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3
InChIKeyFALWUVFFLVTECV-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide (CID 24791399) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide is CN(C(=O)CSc1ccncc1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is FALWUVFFLVTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 373.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 24791399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).