(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone

C12H22N2O2S — CID 119774206

IUPAC(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCOC1(C(=O)N2CCSC(C)C2)CCNCC1
InChIInChI=1S/C12H22N2O2S/c1-10-9-14(7-8-17-10)11(15)12(16-2)3-5-13-6-4-12/h10,13H,3-9H2,1-2H3
InChIKeyNUNFIUSRKZTJPP-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.72
Rot. Bonds2

About (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone

(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 119774206) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID119774206
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCOC1(C(=O)N2CCSC(C)C2)CCNCC1
InChIInChI=1S/C12H22N2O2S/c1-10-9-14(7-8-17-10)11(15)12(16-2)3-5-13-6-4-12/h10,13H,3-9H2,1-2H3
InChIKeyNUNFIUSRKZTJPP-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
CID 115734108
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 115747498
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119880307
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 119899611
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
(1-methoxycyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 169181474

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone (CID 119774206) is (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone is COC1(C(=O)N2CCSC(C)C2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is NUNFIUSRKZTJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10-9-14(7-8-17-10)11(15)12(16-2)3-5-13-6-4-12/h10,13H,3-9H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone?
(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 258.39 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 119774206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).