1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one

C18H29N3O2 — CID 122260717

IUPAC1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCCC(Oc2ccnc(C)n2)C1
InChIInChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)18(22)21-12-6-9-16(13-21)23-17-10-11-19-14(3)20-17/h10-11,15-16H,4-9,12-13H2,1-3H3
InChIKeyZNBHCKJYWQQKAZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.37
Rot. Bonds7

About 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one

1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one (PubChem CID 122260717) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
PubChem CID122260717
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCCC(Oc2ccnc(C)n2)C1
InChIInChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)18(22)21-12-6-9-16(13-21)23-17-10-11-19-14(3)20-17/h10-11,15-16H,4-9,12-13H2,1-3H3
InChIKeyZNBHCKJYWQQKAZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one (CID 122260717) is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCCC(Oc2ccnc(C)n2)C1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one?
The InChIKey is ZNBHCKJYWQQKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)18(22)21-12-6-9-16(13-21)23-17-10-11-19-14(3)20-17/h10-11,15-16H,4-9,12-13H2,1-3H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one?
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one has a molecular weight of 319.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 122260717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).