(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C17H19N3O2S — CID 90558762

IUPAC(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H19N3O2S/c1-23-15-6-3-2-5-14(15)16(21)20-11-7-13(8-12-20)22-17-18-9-4-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyVBADITBTOJAACD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.88
Rot. Bonds4

About (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558762) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558762
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H19N3O2S/c1-23-15-6-3-2-5-14(15)16(21)20-11-7-13(8-12-20)22-17-18-9-4-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyVBADITBTOJAACD-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

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Related Compounds

(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(2-methylsulfanylphenyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267521
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558762) is (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CSc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is VBADITBTOJAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-23-15-6-3-2-5-14(15)16(21)20-11-7-13(8-12-20)22-17-18-9-4-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(2-methylsulfanylphenyl)-(4-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 (2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).