[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone

C17H27N3O2 — CID 118794982

IUPAC[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)OCC1CCN(C(=O)c2ccnc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N3O2/c1-12(2)16-18-8-5-15(19-16)17(21)20-9-6-14(7-10-20)11-22-13(3)4/h5,8,12-14H,6-7,9-11H2,1-4H3
InChIKeyWLVGEFAXFASWKE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds5

About [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone

[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 118794982) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID118794982
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)OCC1CCN(C(=O)c2ccnc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N3O2/c1-12(2)16-18-8-5-15(19-16)17(21)20-9-6-14(7-10-20)11-22-13(3)4/h5,8,12-14H,6-7,9-11H2,1-4H3
InChIKeyWLVGEFAXFASWKE-UHFFFAOYSA-N
XLogP2.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone (CID 118794982) is [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)OCC1CCN(C(=O)c2ccnc(C(C)C)n2)CC1.
What is the InChIKey of [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is WLVGEFAXFASWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)16-18-8-5-15(19-16)17(21)20-9-6-14(7-10-20)11-22-13(3)4/h5,8,12-14H,6-7,9-11H2,1-4H3.
What are the key properties of [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
[4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propan-2-yloxymethyl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 118794982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).