4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one

C20H22N4O3 — CID 3242706

IUPAC4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4O3/c25-19(23-13-11-22(12-14-23)18-7-3-4-9-21-18)8-10-24-16-5-1-2-6-17(16)27-15-20(24)26/h1-7,9H,8,10-15H2
InChIKeyUOEOFHGLMAJDFM-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.55
Rot. Bonds4

About 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one

4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one (PubChem CID 3242706) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
PubChem CID3242706
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4O3/c25-19(23-13-11-22(12-14-23)18-7-3-4-9-21-18)8-10-24-16-5-1-2-6-17(16)27-15-20(24)26/h1-7,9H,8,10-15H2
InChIKeyUOEOFHGLMAJDFM-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one (CID 3242706) is 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one is O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one?
The InChIKey is UOEOFHGLMAJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19(23-13-11-22(12-14-23)18-7-3-4-9-21-18)8-10-24-16-5-1-2-6-17(16)27-15-20(24)26/h1-7,9H,8,10-15H2.
What are the key properties of 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one?
4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one has a molecular weight of 366.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 3242706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).