1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

C20H20N2O2S — CID 90651890

IUPAC1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H20N2O2S/c23-19(16-6-3-4-10-21-16)14-8-11-22(12-9-14)20(24)18-13-15-5-1-2-7-17(15)25-18/h1-7,10,13-14,19,23H,8-9,11-12H2
InChIKeyZXQASDFNAFGOEF-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.88
Rot. Bonds3

About 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90651890) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID90651890
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H20N2O2S/c23-19(16-6-3-4-10-21-16)14-8-11-22(12-9-14)20(24)18-13-15-5-1-2-7-17(15)25-18/h1-7,10,13-14,19,23H,8-9,11-12H2
InChIKeyZXQASDFNAFGOEF-UHFFFAOYSA-N
XLogP3.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 125171269
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
(2-amino-4-methylpyrimidin-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99947231
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 119062941
1-benzothiophen-2-yl-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892674
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 75590068

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (CID 90651890) is 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc2ccccc2s1)N1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZXQASDFNAFGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19(16-6-3-4-10-21-16)14-8-11-22(12-9-14)20(24)18-13-15-5-1-2-7-17(15)25-18/h1-7,10,13-14,19,23H,8-9,11-12H2.
What are the key properties of 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90651890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).