5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one

C18H18N2O2 — CID 20517736

IUPAC5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one
SMILESO=C1c2ccccc2Oc2ccccc2N1C1CCNCC1
InChIInChI=1S/C18H18N2O2/c21-18-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20(18)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
InChIKeyZVVIXDFZTHRWJA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.19
Rot. Bonds1

About 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one

5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one (PubChem CID 20517736) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one
PubChem CID20517736
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one
SMILESO=C1c2ccccc2Oc2ccccc2N1C1CCNCC1
InChIInChI=1S/C18H18N2O2/c21-18-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20(18)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
InChIKeyZVVIXDFZTHRWJA-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one?
The IUPAC name of 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one (CID 20517736) is 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one?
The canonical SMILES for 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one is O=C1c2ccccc2Oc2ccccc2N1C1CCNCC1.
What is the InChIKey of 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one?
The InChIKey is ZVVIXDFZTHRWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20(18)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2.
What are the key properties of 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one?
5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one has a molecular weight of 294.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 20517736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).