1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone

C19H20N2O3S — CID 78840834

IUPAC1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)CSc2ccncc2)CC1
InChIInChI=1S/C19H20N2O3S/c22-16-3-1-14(2-4-16)19(24)15-7-11-21(12-8-15)18(23)13-25-17-5-9-20-10-6-17/h1-6,9-10,15,22H,7-8,11-13H2
InChIKeyDKAITLPUXZNUDL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone

1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone (PubChem CID 78840834) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
PubChem CID78840834
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)CSc2ccncc2)CC1
InChIInChI=1S/C19H20N2O3S/c22-16-3-1-14(2-4-16)19(24)15-7-11-21(12-8-15)18(23)13-25-17-5-9-20-10-6-17/h1-6,9-10,15,22H,7-8,11-13H2
InChIKeyDKAITLPUXZNUDL-UHFFFAOYSA-N
XLogP3.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 82165076
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 66261905
2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129367706
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 90590131
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide
CID 58933809
2-(4-hydroxyphenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119543687
[(3R)-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 125161073
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The IUPAC name of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone (CID 78840834) is 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The canonical SMILES for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)CSc2ccncc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The InChIKey is DKAITLPUXZNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-16-3-1-14(2-4-16)19(24)15-7-11-21(12-8-15)18(23)13-25-17-5-9-20-10-6-17/h1-6,9-10,15,22H,7-8,11-13H2.
What are the key properties of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone has a molecular weight of 356.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone is sourced from PubChem (CID 78840834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).