4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid

C21H26N4O6S — CID 69051251

IUPAC4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1
InChIInChI=1S/C21H26N4O6S/c26-21(27)24-7-5-16(6-8-24)15-31-20-22-13-18(14-23-20)17-1-3-19(4-2-17)32(28,29)25-9-11-30-12-10-25/h1-4,13-14,16H,5-12,15H2,(H,26,27)
InChIKeyIKUAOWXQGCCVHS-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.93
Rot. Bonds6

About 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid

4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid (PubChem CID 69051251) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
PubChem CID69051251
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1
InChIInChI=1S/C21H26N4O6S/c26-21(27)24-7-5-16(6-8-24)15-31-20-22-13-18(14-23-20)17-1-3-19(4-2-17)32(28,29)25-9-11-30-12-10-25/h1-4,13-14,16H,5-12,15H2,(H,26,27)
InChIKeyIKUAOWXQGCCVHS-UHFFFAOYSA-N
XLogP1.93
TPSA122.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390
4-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050918
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68965618
4-[5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122603045
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232
2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4960655
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid (CID 69051251) is 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1.
What is the InChIKey of 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is IKUAOWXQGCCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c26-21(27)24-7-5-16(6-8-24)15-31-20-22-13-18(14-23-20)17-1-3-19(4-2-17)32(28,29)25-9-11-30-12-10-25/h1-4,13-14,16H,5-12,15H2,(H,26,27).
What are the key properties of 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 462.53 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69051251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).