2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

C22H24N4O3S — CID 59718567

IUPAC2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(c4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-30(27,28)20-6-3-18(4-7-20)21-8-5-19(15-25-21)29-16-17-9-13-26(14-10-17)22-23-11-2-12-24-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3
InChIKeyAQKCLTRNYUQGBH-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (PubChem CID 59718567) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
PubChem CID59718567
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(c4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-30(27,28)20-6-3-18(4-7-20)21-8-5-19(15-25-21)29-16-17-9-13-26(14-10-17)22-23-11-2-12-24-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3
InChIKeyAQKCLTRNYUQGBH-UHFFFAOYSA-N
XLogP3.24
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (CID 59718567) is 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(c4ncccn4)CC3)cn2)cc1.
What is the InChIKey of 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The InChIKey is AQKCLTRNYUQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-30(27,28)20-6-3-18(4-7-20)21-8-5-19(15-25-21)29-16-17-9-13-26(14-10-17)22-23-11-2-12-24-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3.
What are the key properties of 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine has a molecular weight of 424.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 59718567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).