(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C17H25ClN4O2 — CID 58035155

IUPAC(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-12-15(19-11-20-16(12)18)17(23)22-7-3-13(4-8-22)21-9-5-14(24-2)6-10-21/h11,13-14H,3-10H2,1-2H3
InChIKeyRPEYNLQHXZJSHH-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.15
Rot. Bonds3

About (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 58035155) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID58035155
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-12-15(19-11-20-16(12)18)17(23)22-7-3-13(4-8-22)21-9-5-14(24-2)6-10-21/h11,13-14H,3-10H2,1-2H3
InChIKeyRPEYNLQHXZJSHH-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 58035155) is (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1.
What is the InChIKey of (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is RPEYNLQHXZJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-12-15(19-11-20-16(12)18)17(23)22-7-3-13(4-8-22)21-9-5-14(24-2)6-10-21/h11,13-14H,3-10H2,1-2H3.
What are the key properties of (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 352.87 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methylpyrimidin-4-yl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 58035155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).