1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

C19H19N3O3S — CID 122261508

IUPAC1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc4ccccc4s3)C2)n1
InChIInChI=1S/C19H19N3O3S/c1-24-19-20-9-8-17(21-19)25-14-6-4-10-22(12-14)18(23)16-11-13-5-2-3-7-15(13)26-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyCDJZCQXFCFSTDQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.38
Rot. Bonds4

About 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122261508) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122261508
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc4ccccc4s3)C2)n1
InChIInChI=1S/C19H19N3O3S/c1-24-19-20-9-8-17(21-19)25-14-6-4-10-22(12-14)18(23)16-11-13-5-2-3-7-15(13)26-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyCDJZCQXFCFSTDQ-UHFFFAOYSA-N
XLogP3.38
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122261508) is 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCCN(C(=O)c3cc4ccccc4s3)C2)n1.
What is the InChIKey of 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is CDJZCQXFCFSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-19-20-9-8-17(21-19)25-14-6-4-10-22(12-14)18(23)16-11-13-5-2-3-7-15(13)26-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122261508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).