2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one

C16H23N3O2 — CID 82177387

IUPAC2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(N3CCNCC3)ccc2NC1=O
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2)15(20)18-13-6-5-12(11-14(13)21-16)19-9-7-17-8-10-19/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyDRXIZBOGCHMOPP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.99
Rot. Bonds3

About 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one

2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one (PubChem CID 82177387) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one
PubChem CID82177387
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(N3CCNCC3)ccc2NC1=O
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2)15(20)18-13-6-5-12(11-14(13)21-16)19-9-7-17-8-10-19/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyDRXIZBOGCHMOPP-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

6-piperazin-1-yl-4H-1,4-benzoxazin-3-one
CID 22326731
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
CID 117006287
1-(2-ethyl-1-benzofuran-6-yl)piperazine
CID 84726276
2,4-dimethyl-7-piperazin-1-yl-1,4-benzoxazin-3-one
CID 116995017
1-ethyl-5-piperazin-1-yl-3H-indol-2-one
CID 117099892
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
CID 90320836
N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
CID 39163327
1-butyl-6-piperazin-1-ylquinolin-2-one
CID 117099735
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one (CID 82177387) is 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one is CCC1(CC)Oc2cc(N3CCNCC3)ccc2NC1=O.
What is the InChIKey of 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is DRXIZBOGCHMOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(4-2)15(20)18-13-6-5-12(11-14(13)21-16)19-9-7-17-8-10-19/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one?
2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82177387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).