1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone

C19H22N2O5S — CID 90591930

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)COc3cccnc3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-15-4-6-17(7-5-15)27(23,24)18-8-11-21(12-9-18)19(22)14-26-16-3-2-10-20-13-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3
InChIKeyBBTKBZCBNNBNJJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 90591930) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID90591930
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)COc3cccnc3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-15-4-6-17(7-5-15)27(23,24)18-8-11-21(12-9-18)19(22)14-26-16-3-2-10-20-13-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3
InChIKeyBBTKBZCBNNBNJJ-UHFFFAOYSA-N
XLogP1.93
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 90591858
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
2-(1,2-benzoxazol-3-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]ethanone
CID 90591901
[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 97417332
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 90591930) is 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)COc3cccnc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is BBTKBZCBNNBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-15-4-6-17(7-5-15)27(23,24)18-8-11-21(12-9-18)19(22)14-26-16-3-2-10-20-13-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 390.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 90591930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).