N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide

C24H32FN3OS — CID 126463513

IUPACN-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)C(Cc1ccccc1F)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H32FN3OS/c1-27(24(29)12-16-30-2)23(17-20-7-3-4-9-22(20)25)19-10-14-28(15-11-19)18-21-8-5-6-13-26-21/h3-9,13,19,23H,10-12,14-18H2,1-2H3
InChIKeyLGAXSMVUQKMVBA-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.26
Rot. Bonds9

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

N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 126463513) has the molecular formula C24H32FN3OS and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID126463513
Molecular FormulaC24H32FN3OS
Molecular Weight429.61 g/mol
Exact Mass429.23
IUPAC NameN-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)C(Cc1ccccc1F)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H32FN3OS/c1-27(24(29)12-16-30-2)23(17-20-7-3-4-9-22(20)25)19-10-14-28(15-11-19)18-21-8-5-6-13-26-21/h3-9,13,19,23H,10-12,14-18H2,1-2H3
InChIKeyLGAXSMVUQKMVBA-UHFFFAOYSA-N
XLogP4.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide (CID 126463513) is N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)C(Cc1ccccc1F)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is LGAXSMVUQKMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3OS/c1-27(24(29)12-16-30-2)23(17-20-7-3-4-9-22(20)25)19-10-14-28(15-11-19)18-21-8-5-6-13-26-21/h3-9,13,19,23H,10-12,14-18H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide?
N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 429.61 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 126463513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).