4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide

C22H24FN3OS — CID 124591472

IUPAC4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)sc2cccc(F)c12
InChIInChI=1S/C22H24FN3OS/c1-14-20-18(23)4-3-5-19(20)28-21(14)22(27)25-17-8-12-26(13-9-17)15(2)16-6-10-24-11-7-16/h3-7,10-11,15,17H,8-9,12-13H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyIVEISJGKIMBXBE-HNNXBMFYSA-N
MW397.52 g/mol
LogP4.70
Rot. Bonds4

About 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide (PubChem CID 124591472) has the molecular formula C22H24FN3OS and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
PubChem CID124591472
Molecular FormulaC22H24FN3OS
Molecular Weight397.52 g/mol
Exact Mass397.16
IUPAC Name4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)sc2cccc(F)c12
InChIInChI=1S/C22H24FN3OS/c1-14-20-18(23)4-3-5-19(20)28-21(14)22(27)25-17-8-12-26(13-9-17)15(2)16-6-10-24-11-7-16/h3-7,10-11,15,17H,8-9,12-13H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyIVEISJGKIMBXBE-HNNXBMFYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
3-chloro-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 25236737
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 62490061
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641
4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 24539845
4-fluoro-3-methyl-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457233
1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193
methyl 4-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]piperidine-1-carboxylate
CID 86841474
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide (CID 124591472) is 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is IVEISJGKIMBXBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FN3OS/c1-14-20-18(23)4-3-5-19(20)28-21(14)22(27)25-17-8-12-26(13-9-17)15(2)16-6-10-24-11-7-16/h3-7,10-11,15,17H,8-9,12-13H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 124591472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).