2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine

C18H23N3O4S — CID 122261143

IUPAC2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESCc1nccc(OC2CCCN(S(=O)(=O)CCOc3ccccc3)C2)n1
InChIInChI=1S/C18H23N3O4S/c1-15-19-10-9-18(20-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3
InChIKeyIYMUJAPOXLGTIS-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine

2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine (PubChem CID 122261143) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
PubChem CID122261143
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESCc1nccc(OC2CCCN(S(=O)(=O)CCOc3ccccc3)C2)n1
InChIInChI=1S/C18H23N3O4S/c1-15-19-10-9-18(20-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3
InChIKeyIYMUJAPOXLGTIS-UHFFFAOYSA-N
XLogP2.04
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine 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

2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146
2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261115
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723
3-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628106
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine?
The IUPAC name of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine (CID 122261143) is 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine is Cc1nccc(OC2CCCN(S(=O)(=O)CCOc3ccccc3)C2)n1.
What is the InChIKey of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine?
The InChIKey is IYMUJAPOXLGTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-15-19-10-9-18(20-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3.
What are the key properties of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine?
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine has a molecular weight of 377.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122261143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).