1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one

C15H19NOS — CID 113440410

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC2Cc3ccccc3S2)C1=O
InChIInChI=1S/C15H19NOS/c1-11-5-4-8-16(15(11)17)10-13-9-12-6-2-3-7-14(12)18-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3
InChIKeyOGMNKYQHMCLOBA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.96
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one (PubChem CID 113440410) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
PubChem CID113440410
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC2Cc3ccccc3S2)C1=O
InChIInChI=1S/C15H19NOS/c1-11-5-4-8-16(15(11)17)10-13-9-12-6-2-3-7-14(12)18-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3
InChIKeyOGMNKYQHMCLOBA-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
1-{[(4-Methylphenyl)sulfanyl]acetyl}piperidine
CID 879795
(5R)-5-methyl-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one
CID 24789471
3-Phenyl-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
CID 64921
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
6-Phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one
CID 53301209
(1R*,5S*,6r)-6-({4-[(2-methylphenyl)thio]-1-piperidinyl}carbonyl)-3-azabicyclo[3.1.0]hexane
CID 70752966
1-(4-Phenylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 133820536
1-[(3S)-3-(difluoromethyl)piperidin-1-yl]-2-(2-methylsulfanylphenyl)ethanone
CID 172908542
1-[(3S)-3-(fluoromethyl)piperidin-1-yl]-2-(2-methylsulfanylphenyl)ethanone
CID 172908544
1-(3,5-Dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
CID 2916137
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CID 2951823

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one (CID 113440410) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one is CC1CCCN(CC2Cc3ccccc3S2)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one?
The InChIKey is OGMNKYQHMCLOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-5-4-8-16(15(11)17)10-13-9-12-6-2-3-7-14(12)18-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one has a molecular weight of 261.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 113440410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).