4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane

C16H26N4O — CID 72848462

IUPAC4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
SMILESCc1cnc(N2CCCOC(CN3CCCCC3)C2)nc1
InChIInChI=1S/C16H26N4O/c1-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-2-4-7-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyLUGPLDCXJIYLRZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.87
Rot. Bonds3

About 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane

4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane (PubChem CID 72848462) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
PubChem CID72848462
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
SMILESCc1cnc(N2CCCOC(CN3CCCCC3)C2)nc1
InChIInChI=1S/C16H26N4O/c1-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-2-4-7-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyLUGPLDCXJIYLRZ-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane 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 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane (CID 72848462) is 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane is Cc1cnc(N2CCCOC(CN3CCCCC3)C2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The InChIKey is LUGPLDCXJIYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-2-4-7-19/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane has a molecular weight of 290.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 72848462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).