[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone

C19H24FN3OS2 — CID 42606106

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone
SMILESCSc1ccc(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)s1
InChIInChI=1S/C19H24FN3OS2/c1-14-3-4-15(22-11-14)12-21-13-19(20)7-9-23(10-8-19)18(24)16-5-6-17(25-2)26-16/h3-6,11,21H,7-10,12-13H2,1-2H3
InChIKeyQQMJVTGJTVLFCK-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.91
Rot. Bonds6

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone (PubChem CID 42606106) has the molecular formula C19H24FN3OS2 and a molecular weight of 393.55 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone
PubChem CID42606106
Molecular FormulaC19H24FN3OS2
Molecular Weight393.55 g/mol
Exact Mass393.13
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone
SMILESCSc1ccc(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)s1
InChIInChI=1S/C19H24FN3OS2/c1-14-3-4-15(22-11-14)12-21-13-19(20)7-9-23(10-8-19)18(24)16-5-6-17(25-2)26-16/h3-6,11,21H,7-10,12-13H2,1-2H3
InChIKeyQQMJVTGJTVLFCK-UHFFFAOYSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
5-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182691
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-pyridin-2-yl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402005
5-iodo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402006
5-iodo-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459156
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459157
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 71462683
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone (CID 42606106) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone is CSc1ccc(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)s1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone?
The InChIKey is QQMJVTGJTVLFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS2/c1-14-3-4-15(22-11-14)12-21-13-19(20)7-9-23(10-8-19)18(24)16-5-6-17(25-2)26-16/h3-6,11,21H,7-10,12-13H2,1-2H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone has a molecular weight of 393.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone is sourced from PubChem (CID 42606106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).