4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one

C14H18N2O3 — CID 22326696

IUPAC4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C14H18N2O3/c1-16-12-8-11(19-10-4-6-15-7-5-10)2-3-13(12)18-9-14(16)17/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyCUTLVBKNCXYWGM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.17
Rot. Bonds2

About 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one

4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one (PubChem CID 22326696) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
PubChem CID22326696
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C14H18N2O3/c1-16-12-8-11(19-10-4-6-15-7-5-10)2-3-13(12)18-9-14(16)17/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyCUTLVBKNCXYWGM-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one (CID 22326696) is 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(OC3CCNCC3)cc21.
What is the InChIKey of 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one?
The InChIKey is CUTLVBKNCXYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-8-11(19-10-4-6-15-7-5-10)2-3-13(12)18-9-14(16)17/h2-3,8,10,15H,4-7,9H2,1H3.
What are the key properties of 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one?
4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 22326696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).