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

C19H24FN3OS — CID 42606104

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc(C)cs3)CC2)nc1
InChIInChI=1S/C19H24FN3OS/c1-14-3-4-16(22-10-14)11-21-13-19(20)5-7-23(8-6-19)18(24)17-9-15(2)12-25-17/h3-4,9-10,12,21H,5-8,11,13H2,1-2H3
InChIKeyFKKTTZAYOLFUGU-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.49
Rot. Bonds5

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

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 42606104) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID42606104
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc(C)cs3)CC2)nc1
InChIInChI=1S/C19H24FN3OS/c1-14-3-4-16(22-10-14)11-21-13-19(20)5-7-23(8-6-19)18(24)17-9-15(2)12-25-17/h3-4,9-10,12,21H,5-8,11,13H2,1-2H3
InChIKeyFKKTTZAYOLFUGU-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-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
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
5-iodo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402006
5-bromo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-3-carboxamide
CID 44402150
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
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

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 42606104) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(C)cs3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is FKKTTZAYOLFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-14-3-4-16(22-10-14)11-21-13-19(20)5-7-23(8-6-19)18(24)17-9-15(2)12-25-17/h3-4,9-10,12,21H,5-8,11,13H2,1-2H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 42606104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).