(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

C18H31Cl2N3O2S — CID 119893150

IUPAC(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCCC(c3nc(C(C)C)cs3)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2S.2ClH/c1-13(2)15-12-24-16(20-15)14-5-4-10-21(11-14)17(22)18(23-3)6-8-19-9-7-18;;/h12-14,19H,4-11H2,1-3H3;2*1H
InChIKeyBAXYBDMZITXSNG-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.58
Rot. Bonds4

About (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119893150) has the molecular formula C18H31Cl2N3O2S and a molecular weight of 424.44 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119893150
Molecular FormulaC18H31Cl2N3O2S
Molecular Weight424.44 g/mol
Exact Mass423.15
IUPAC Name(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCCC(c3nc(C(C)C)cs3)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2S.2ClH/c1-13(2)15-12-24-16(20-15)14-5-4-10-21(11-14)17(22)18(23-3)6-8-19-9-7-18;;/h12-14,19H,4-11H2,1-3H3;2*1H
InChIKeyBAXYBDMZITXSNG-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (CID 119893150) is (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is COC1(C(=O)N2CCCC(c3nc(C(C)C)cs3)C2)CCNCC1.Cl.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is BAXYBDMZITXSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S.2ClH/c1-13(2)15-12-24-16(20-15)14-5-4-10-21(11-14)17(22)18(23-3)6-8-19-9-7-18;;/h12-14,19H,4-11H2,1-3H3;2*1H.
What are the key properties of (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 424.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119893150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).