(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C16H23NOS — CID 25236486

IUPAC(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCN(C(=O)c2csc3c2CCC(C)C3)CC1
InChIInChI=1S/C16H23NOS/c1-11-5-7-17(8-6-11)16(18)14-10-19-15-9-12(2)3-4-13(14)15/h10-12H,3-9H2,1-2H3
InChIKeyCCLQGYVCMCWLKQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.74
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 25236486) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID25236486
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCC1CCN(C(=O)c2csc3c2CCC(C)C3)CC1
InChIInChI=1S/C16H23NOS/c1-11-5-7-17(8-6-11)16(18)14-10-19-15-9-12(2)3-4-13(14)15/h10-12H,3-9H2,1-2H3
InChIKeyCCLQGYVCMCWLKQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236090
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 7872422
[4-(cyclopropylmethylamino)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119624612
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022974
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-4-yl]methanone
CID 33185662
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204747
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204746
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
CID 99816784
7-[[4-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51511182
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8893838

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 25236486) is (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is CC1CCN(C(=O)c2csc3c2CCC(C)C3)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is CCLQGYVCMCWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-5-7-17(8-6-11)16(18)14-10-19-15-9-12(2)3-4-13(14)15/h10-12H,3-9H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 277.43 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 25236486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).