1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

C16H20N2OS — CID 63251070

IUPAC1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C16H20N2OS/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyBQDAVJAMUFCYAW-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.97
Rot. Bonds3

About 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63251070) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63251070
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C16H20N2OS/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyBQDAVJAMUFCYAW-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120858098
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63251070) is 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BQDAVJAMUFCYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 288.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).