1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C19H18N2O2S — CID 91815946

IUPAC1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H18N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)21-11-7-16(8-12-21)23-15-5-9-20-10-6-15/h1-6,9-10,13,16H,7-8,11-12H2
InChIKeyBXZIYBXIJVZZQY-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.98
Rot. Bonds3

About 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone

1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 91815946) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID91815946
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H18N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)21-11-7-16(8-12-21)23-15-5-9-20-10-6-15/h1-6,9-10,13,16H,7-8,11-12H2
InChIKeyBXZIYBXIJVZZQY-UHFFFAOYSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 54435102
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
1-benzothiophen-2-yl-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892674
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 91815946) is 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is BXZIYBXIJVZZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)21-11-7-16(8-12-21)23-15-5-9-20-10-6-15/h1-6,9-10,13,16H,7-8,11-12H2.
What are the key properties of 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).