tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate

C18H27N3O3 — CID 69059696

IUPACtert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate
SMILESCc1cc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCCN2
InChIInChI=1S/C18H27N3O3/c1-13-11-14-16(23-10-5-19-14)15(12-13)20-6-8-21(9-7-20)17(22)24-18(2,3)4/h11-12,19H,5-10H2,1-4H3
InChIKeyVXOZFDQDSGCEPA-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate

tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate (PubChem CID 69059696) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate
PubChem CID69059696
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate
SMILESCc1cc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCCN2
InChIInChI=1S/C18H27N3O3/c1-13-11-14-16(23-10-5-19-14)15(12-13)20-6-8-21(9-7-20)17(22)24-18(2,3)4/h11-12,19H,5-10H2,1-4H3
InChIKeyVXOZFDQDSGCEPA-UHFFFAOYSA-N
XLogP2.86
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate 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

tert-butyl 4-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate
CID 69056221
6-chloro-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 22557211
tert-butyl 8-bromo-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 83773515
tert-butyl (3R)-3-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)pyrrolidine-1-carboxylate
CID 170625506
tert-butyl 1,2,3,6,8,9-hexahydropyrido[4,3-g][1,4]benzoxazine-7-carboxylate
CID 154336197
tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643049
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-(7-fluoro-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-yl)piperazine-1-carboxylate
CID 24857949
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl pyrrolidine-1-carboxylate;5-methylbenzene-1,3-dicarboxylic acid
CID 174657732
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate (CID 69059696) is tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate is Cc1cc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCCN2.
What is the InChIKey of tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate?
The InChIKey is VXOZFDQDSGCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-11-14-16(23-10-5-19-14)15(12-13)20-6-8-21(9-7-20)17(22)24-18(2,3)4/h11-12,19H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate is sourced from PubChem (CID 69059696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).