2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one

C16H23N3O2 — CID 82018905

IUPAC2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)C(C)Oc2c(N3CCNCC3)cccc21
InChIInChI=1S/C16H23N3O2/c1-3-9-19-14-6-4-5-13(18-10-7-17-8-11-18)15(14)21-12(2)16(19)20/h4-6,12,17H,3,7-11H2,1-2H3
InChIKeyAASMICNTNUXFAG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one

2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one (PubChem CID 82018905) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one
PubChem CID82018905
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)C(C)Oc2c(N3CCNCC3)cccc21
InChIInChI=1S/C16H23N3O2/c1-3-9-19-14-6-4-5-13(18-10-7-17-8-11-18)15(14)21-12(2)16(19)20/h4-6,12,17H,3,7-11H2,1-2H3
InChIKeyAASMICNTNUXFAG-UHFFFAOYSA-N
XLogP1.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
CID 10382444
2-(2-methyl-3-oxo-5-piperazin-1-yl-1,4-benzoxazin-4-yl)acetic acid
CID 82346291
2-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one;hydrochloride
CID 119402579
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523743
4-butyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
CID 82346275
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
1-butyl-3-methyl-4,1-benzoxazepine-2,5-dione
CID 10354602
6-(aminomethyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82063129
2,4-dimethyl-7-piperazin-1-yl-1,4-benzoxazin-3-one
CID 116995017
4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
CID 82346278
6-butanoyl-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82019477
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one (CID 82018905) is 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one is CCCN1C(=O)C(C)Oc2c(N3CCNCC3)cccc21.
What is the InChIKey of 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one?
The InChIKey is AASMICNTNUXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-9-19-14-6-4-5-13(18-10-7-17-8-11-18)15(14)21-12(2)16(19)20/h4-6,12,17H,3,7-11H2,1-2H3.
What are the key properties of 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one?
2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82018905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).