4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one

C17H25N3O2 — CID 82255594

IUPAC4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(CC(C)N3CCNCC3)cc21
InChIInChI=1S/C17H25N3O2/c1-3-20-15-11-14(4-5-16(15)22-12-17(20)21)10-13(2)19-8-6-18-7-9-19/h4-5,11,13,18H,3,6-10,12H2,1-2H3
InChIKeyQNWAXVWOKVVNNC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.27
Rot. Bonds4

About 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one

4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one (PubChem CID 82255594) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
PubChem CID82255594
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(CC(C)N3CCNCC3)cc21
InChIInChI=1S/C17H25N3O2/c1-3-20-15-11-14(4-5-16(15)22-12-17(20)21)10-13(2)19-8-6-18-7-9-19/h4-5,11,13,18H,3,6-10,12H2,1-2H3
InChIKeyQNWAXVWOKVVNNC-UHFFFAOYSA-N
XLogP1.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891
3-chloro-4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)butanoic acid
CID 82351978
4-ethyl-6-[2-(2-methylpropylamino)ethyl]-1,4-benzoxazin-3-one
CID 82262109
4-[[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfinylmethyl]benzoic acid
CID 123106971
4-ethyl-6-[hydroxy(piperidin-4-yl)methyl]-1,4-benzoxazin-3-one
CID 82339668
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
5-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255672
4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
CID 82346278
4-(2-phenylethyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163443
4,6-bis(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115227034
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 100830352

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one (CID 82255594) is 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(CC(C)N3CCNCC3)cc21.
What is the InChIKey of 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The InChIKey is QNWAXVWOKVVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-20-15-11-14(4-5-16(15)22-12-17(20)21)10-13(2)19-8-6-18-7-9-19/h4-5,11,13,18H,3,6-10,12H2,1-2H3.
What are the key properties of 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82255594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).