(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C16H23NOS — CID 6618957

IUPAC(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H23NOS/c1-11-6-5-7-12(2)17(11)16(18)14-10-19-15-9-4-3-8-13(14)15/h10-12H,3-9H2,1-2H3
InChIKeyXWCYCQUBJZHVND-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.03
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 6618957) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID6618957
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H23NOS/c1-11-6-5-7-12(2)17(11)16(18)14-10-19-15-9-4-3-8-13(14)15/h10-12H,3-9H2,1-2H3
InChIKeyXWCYCQUBJZHVND-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 79410367
4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720472
methyl (2S,3aS,7aS)-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 97310711
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107069526
(3-hydroxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 62916760
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119490114
[3-(aminomethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119484918
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 13308348
methyl 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919650
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 102934526
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 98465292

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 6618957) is (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is CC1CCCC(C)N1C(=O)c1csc2c1CCCC2.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is XWCYCQUBJZHVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-6-5-7-12(2)17(11)16(18)14-10-19-15-9-4-3-8-13(14)15/h10-12H,3-9H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 277.43 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 6618957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).