[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone

C24H25N3O4S — CID 25100625

IUPAC[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-32(29,30)21-8-5-19(6-9-21)20-7-10-23(26-16-20)31-17-18-11-14-27(15-12-18)24(28)22-4-2-3-13-25-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3
InChIKeyUEZPBEMBBZNDQR-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.48
Rot. Bonds6

About [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 25100625) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID25100625
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-32(29,30)21-8-5-19(6-9-21)20-7-10-23(26-16-20)31-17-18-11-14-27(15-12-18)24(28)22-4-2-3-13-25-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3
InChIKeyUEZPBEMBBZNDQR-UHFFFAOYSA-N
XLogP3.48
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 25100924
3-(3-chloro-4-methoxyphenyl)-1-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 25100156
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576279
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
CID 46964932
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
N'-hydroxy-4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboximidamide
CID 86663677
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 25100625) is [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone is CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc1.
What is the InChIKey of [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UEZPBEMBBZNDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-32(29,30)21-8-5-19(6-9-21)20-7-10-23(26-16-20)31-17-18-11-14-27(15-12-18)24(28)22-4-2-3-13-25-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3.
What are the key properties of [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 451.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 25100625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).