tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate

C13H24N2O4 — CID 110460531

IUPACtert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
SMILESCOCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C13H24N2O4/c1-10-8-14(12(17)19-13(2,3)4)6-7-15(10)11(16)9-18-5/h10H,6-9H2,1-5H3
InChIKeyIUHZZTXAUITQKO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.10
Rot. Bonds2

About tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate

tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate (PubChem CID 110460531) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
PubChem CID110460531
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
SMILESCOCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C13H24N2O4/c1-10-8-14(12(17)19-13(2,3)4)6-7-15(10)11(16)9-18-5/h10H,6-9H2,1-5H3
InChIKeyIUHZZTXAUITQKO-UHFFFAOYSA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-4-(3,4,4-trimethylpentanoyl)piperazine-1-carboxylate
CID 86904160
tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
CID 141428340
tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
CID 66568135
tert-butyl 4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylate
CID 75631900
tert-butyl 4-(N'-hydroxycarbamimidoyl)-3-methylpiperazine-1-carboxylate
CID 174991389
tert-butyl (3R)-4-(4-aminobicyclo[2.2.2]octane-1-carbonyl)-3-methylpiperazine-1-carboxylate
CID 178203147
tert-butyl (3S)-3-methyl-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazine-1-carboxylate
CID 95617975
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946
tert-butyl 4-[3-(furan-2-yl)propanoyl]-3-methylpiperazine-1-carboxylate
CID 56785244
tert-butyl (3R)-4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 68937938
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (3S)-3-methyl-4-methylsulfanylpiperazine-1-carboxylate
CID 170266656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate (CID 110460531) is tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate is COCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate?
The InChIKey is IUHZZTXAUITQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10-8-14(12(17)19-13(2,3)4)6-7-15(10)11(16)9-18-5/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate?
tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 110460531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).