2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C16H24N2O2S — CID 155952779

IUPAC2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCON1CCC(CC(=O)N2CCc3scc(C)c3C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-12-11-21-15-5-6-17(10-14(12)15)16(19)9-13-3-7-18(20-2)8-4-13/h11,13H,3-10H2,1-2H3
InChIKeyYGGZRRDLRMSNMO-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.60
Rot. Bonds3

About 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 155952779) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID155952779
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCON1CCC(CC(=O)N2CCc3scc(C)c3C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-12-11-21-15-5-6-17(10-14(12)15)16(19)9-13-3-7-18(20-2)8-4-13/h11,13H,3-10H2,1-2H3
InChIKeyYGGZRRDLRMSNMO-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-cyclobutyl-1-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86778686
1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
CID 155952819
6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
CID 171994230
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
CID 171994650
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119679792
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 171993870
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
CID 170947205
N-[2-(cyclohexen-1-yl)-2-methylpropyl]-2-(1-methoxypiperidin-4-yl)acetamide
CID 167816633
N-[2-(1,4-dimethylpyrazol-3-yl)ethyl]-2-(1-methoxypiperidin-4-yl)acetamide
CID 155960489
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
CID 106313674

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 155952779) is 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CON1CCC(CC(=O)N2CCc3scc(C)c3C2)CC1.
What is the InChIKey of 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is YGGZRRDLRMSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-11-21-15-5-6-17(10-14(12)15)16(19)9-13-3-7-18(20-2)8-4-13/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 308.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypiperidin-4-yl)-1-(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 155952779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).