(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone

C22H25NO5S — CID 25475118

IUPAC(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccc(CS(C)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C22H25NO5S/c1-28-20-8-6-17(7-9-20)21(24)18-10-12-23(13-11-18)22(25)19-5-3-4-16(14-19)15-29(2,26)27/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyGZBGVUNTPCGGEH-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.97
Rot. Bonds6

About (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 25475118) has the molecular formula C22H25NO5S and a molecular weight of 415.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID25475118
Molecular FormulaC22H25NO5S
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC Name(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccc(CS(C)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C22H25NO5S/c1-28-20-8-6-17(7-9-20)21(24)18-10-12-23(13-11-18)22(25)19-5-3-4-16(14-19)15-29(2,26)27/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyGZBGVUNTPCGGEH-UHFFFAOYSA-N
XLogP2.97
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
2,2-dimethyl-1-[4-[3-(methylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 134021641
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone (CID 25475118) is (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cccc(CS(C)(=O)=O)c3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is GZBGVUNTPCGGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5S/c1-28-20-8-6-17(7-9-20)21(24)18-10-12-23(13-11-18)22(25)19-5-3-4-16(14-19)15-29(2,26)27/h3-9,14,18H,10-13,15H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 415.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 25475118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).