1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone

C20H20ClNO2S — CID 2740764

IUPAC1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyPZBZUQODZZMMCY-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone

1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone (PubChem CID 2740764) has the molecular formula C20H20ClNO2S and a molecular weight of 373.91 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
PubChem CID2740764
Molecular FormulaC20H20ClNO2S
Molecular Weight373.91 g/mol
Exact Mass373.09
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyPZBZUQODZZMMCY-UHFFFAOYSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 82165076
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 78840834
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 35621845
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
1-[2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235996
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
2-(4-chlorophenyl)sulfanyl-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775210
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-(ethyldisulfanyl)ethyl]piperidine-4-carboxamide
CID 165392480

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone (CID 2740764) is 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone is O=C(c1ccccc1)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The InChIKey is PZBZUQODZZMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16H,10-14H2.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone has a molecular weight of 373.91 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 2740764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).