1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone

C18H24N2O2S — CID 75433786

IUPAC1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
SMILESCN(CCCO)C1CCN(C(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C18H24N2O2S/c1-19(9-4-12-21)14-7-10-20(11-8-14)18(22)16-13-23-17-6-3-2-5-15(16)17/h2-3,5-6,13-14,21H,4,7-12H2,1H3
InChIKeyZJACZGIUSAFHGD-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.82
Rot. Bonds5

About 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone

1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone (PubChem CID 75433786) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
PubChem CID75433786
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
SMILESCN(CCCO)C1CCN(C(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C18H24N2O2S/c1-19(9-4-12-21)14-7-10-20(11-8-14)18(22)16-13-23-17-6-3-2-5-15(16)17/h2-3,5-6,13-14,21H,4,7-12H2,1H3
InChIKeyZJACZGIUSAFHGD-UHFFFAOYSA-N
XLogP2.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636244
(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
CID 125144650
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone (CID 75433786) is 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone is CN(CCCO)C1CCN(C(=O)c2csc3ccccc23)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone?
The InChIKey is ZJACZGIUSAFHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-19(9-4-12-21)14-7-10-20(11-8-14)18(22)16-13-23-17-6-3-2-5-15(16)17/h2-3,5-6,13-14,21H,4,7-12H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone?
1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 75433786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).