phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone

C23H21N3O2 — CID 134275487

IUPACphenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21N3O2/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2
InChIKeyYBDSAFWHAIIOMR-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.87
Rot. Bonds1

About phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone

phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 134275487) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID134275487
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Namephenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21N3O2/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2
InChIKeyYBDSAFWHAIIOMR-UHFFFAOYSA-N
XLogP4.87
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone (CID 134275487) is phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YBDSAFWHAIIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2.
What are the key properties of phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 134275487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).