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

C22H24FN3OS — CID 42606337

IUPAC1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4s3)CC2)nc1
InChIInChI=1S/C22H24FN3OS/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyXXWBDKZIZYLZPQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.34
Rot. Bonds5

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

1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 42606337) has the molecular formula C22H24FN3OS and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID42606337
Molecular FormulaC22H24FN3OS
Molecular Weight397.52 g/mol
Exact Mass397.16
IUPAC Name1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4s3)CC2)nc1
InChIInChI=1S/C22H24FN3OS/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyXXWBDKZIZYLZPQ-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Pyrrolopyridine, 15
CID 16719976
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
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 673385
ZY63TG2Nhl
CID 24883191
6-methyl-N-[1-[[(2S)-5-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46236510
6-methyl-N-[1-[[(2S)-1-phenyl-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46237171
6-methyl-N-[1-[[(2S)-1-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46237299
6-methyl-N-[1-[[(2S)-1-phenyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46237300
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 42606337) is 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4s3)CC2)nc1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is XXWBDKZIZYLZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3OS/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42606337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).