1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C18H17N3O2S — CID 122160949

IUPAC1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C18H17N3O2S/c22-17(16-11-13-5-1-2-7-15(13)24-16)21-10-3-6-14(12-21)23-18-19-8-4-9-20-18/h1-2,4-5,7-9,11,14H,3,6,10,12H2
InChIKeyRSIQNIPNTHWHFF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.37
Rot. Bonds3

About 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122160949) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122160949
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C18H17N3O2S/c22-17(16-11-13-5-1-2-7-15(13)24-16)21-10-3-6-14(12-21)23-18-19-8-4-9-20-18/h1-2,4-5,7-9,11,14H,3,6,10,12H2
InChIKeyRSIQNIPNTHWHFF-UHFFFAOYSA-N
XLogP3.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257190
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
1-benzothiophen-2-yl-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892674
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122160949) is 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is RSIQNIPNTHWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(16-11-13-5-1-2-7-15(13)24-16)21-10-3-6-14(12-21)23-18-19-8-4-9-20-18/h1-2,4-5,7-9,11,14H,3,6,10,12H2.
What are the key properties of 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122160949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).