(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C19H28N2O5S — CID 91916336

IUPAC(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-25-16-5-3-15(4-6-16)19(22)20-11-7-17(8-12-20)26-18-9-13-21(14-10-18)27(2,23)24/h3-6,17-18H,7-14H2,1-2H3
InChIKeyKBAANQOLQXFOFN-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.74
Rot. Bonds5

About (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916336) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916336
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-25-16-5-3-15(4-6-16)19(22)20-11-7-17(8-12-20)26-18-9-13-21(14-10-18)27(2,23)24/h3-6,17-18H,7-14H2,1-2H3
InChIKeyKBAANQOLQXFOFN-UHFFFAOYSA-N
XLogP1.74
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916339
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43922370
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916336) is (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is KBAANQOLQXFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-25-16-5-3-15(4-6-16)19(22)20-11-7-17(8-12-20)26-18-9-13-21(14-10-18)27(2,23)24/h3-6,17-18H,7-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).