[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone

C19H20N2OS — CID 15634392

IUPAC[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C19H20N2OS/c1-12-6-5-7-13(2)21(12)19(22)16-10-15-14-8-3-4-9-17(14)23-18(15)11-20-16/h3-4,8-13H,5-7H2,1-2H3
InChIKeyOKJNPWYUEVVLKV-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.85
Rot. Bonds1

About [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone

[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 15634392) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID15634392
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C19H20N2OS/c1-12-6-5-7-13(2)21(12)19(22)16-10-15-14-8-3-4-9-17(14)23-18(15)11-20-16/h3-4,8-13H,5-7H2,1-2H3
InChIKeyOKJNPWYUEVVLKV-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-((1S,3S)-3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)cyclopentyl)-4-(benzo[b]thiophen-2-yl)picolinamide
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
5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 9841797
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[2,3-c]pyridine-5-carboxamide
CID 11508767
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 42606107
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 42606218
Benzo[b]thiophen-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606337

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone (CID 15634392) is [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is OKJNPWYUEVVLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-6-5-7-13(2)21(12)19(22)16-10-15-14-8-3-4-9-17(14)23-18(15)11-20-16/h3-4,8-13H,5-7H2,1-2H3.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone?
[1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 324.45 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridin-3-yl-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 15634392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).