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

C15H17N3O2S — CID 121162010

IUPAC(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1csc(C(=O)N2CCC(Oc3ccncn3)CC2)c1
InChIInChI=1S/C15H17N3O2S/c1-11-8-13(21-9-11)15(19)18-6-3-12(4-7-18)20-14-2-5-16-10-17-14/h2,5,8-10,12H,3-4,6-7H2,1H3
InChIKeyIKQHPJPVOYOZSO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.53
Rot. Bonds3

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

(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121162010) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121162010
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1csc(C(=O)N2CCC(Oc3ccncn3)CC2)c1
InChIInChI=1S/C15H17N3O2S/c1-11-8-13(21-9-11)15(19)18-6-3-12(4-7-18)20-14-2-5-16-10-17-14/h2,5,8-10,12H,3-4,6-7H2,1H3
InChIKeyIKQHPJPVOYOZSO-UHFFFAOYSA-N
XLogP2.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122243361
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 138988998
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161763
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161897
(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162062

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121162010) is (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is Cc1csc(C(=O)N2CCC(Oc3ccncn3)CC2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is IKQHPJPVOYOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-8-13(21-9-11)15(19)18-6-3-12(4-7-18)20-14-2-5-16-10-17-14/h2,5,8-10,12H,3-4,6-7H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121162010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).