(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C17H19N3O2S — CID 122267106

IUPAC(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCSc1cccc(C(=O)N2CCCC(Oc3ncccn3)C2)c1
InChIInChI=1S/C17H19N3O2S/c1-23-15-7-2-5-13(11-15)16(21)20-10-3-6-14(12-20)22-17-18-8-4-9-19-17/h2,4-5,7-9,11,14H,3,6,10,12H2,1H3
InChIKeyOFXWHVFREXSXEL-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.88
Rot. Bonds4

About (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122267106) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122267106
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCSc1cccc(C(=O)N2CCCC(Oc3ncccn3)C2)c1
InChIInChI=1S/C17H19N3O2S/c1-23-15-7-2-5-13(11-15)16(21)20-10-3-6-14(12-20)22-17-18-8-4-9-19-17/h2,4-5,7-9,11,14H,3,6,10,12H2,1H3
InChIKeyOFXWHVFREXSXEL-UHFFFAOYSA-N
XLogP2.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone 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-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 122257463
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
(1-oxidopyridin-1-ium-3-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257432
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122267106) is (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is CSc1cccc(C(=O)N2CCCC(Oc3ncccn3)C2)c1.
What is the InChIKey of (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is OFXWHVFREXSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-23-15-7-2-5-13(11-15)16(21)20-10-3-6-14(12-20)22-17-18-8-4-9-19-17/h2,4-5,7-9,11,14H,3,6,10,12H2,1H3.
What are the key properties of (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122267106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).