butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate

C12H22N2O4 — CID 108569961

IUPACbutyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H22N2O4/c1-3-4-9-18-12(16)14-7-5-13(6-8-14)11(15)10-17-2/h3-10H2,1-2H3
InChIKeyBSNBXWNAEATCSP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds5

About butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate

butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate (PubChem CID 108569961) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
PubChem CID108569961
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namebutyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H22N2O4/c1-3-4-9-18-12(16)14-7-5-13(6-8-14)11(15)10-17-2/h3-10H2,1-2H3
InChIKeyBSNBXWNAEATCSP-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
CID 66713226
butyl 4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568741
butyl 4-(2-oxoethyl)piperazine-1-carboxylate
CID 142734941
butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 67764639
butyl 4-[(2S)-2-aminobutanoyl]piperazine-1-carboxylate
CID 66713008
butyl 4-(2-aminobutanoyl)piperazine-1-carboxylate
CID 66713009
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
sodium (Z)-(4-butoxycarbonylpiperazin-1-yl)-oxido-oxidoiminoazanium
CID 135425322
butyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 108567453

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate?
The IUPAC name of butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate (CID 108569961) is butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate?
The canonical SMILES for butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate is CCCCOC(=O)N1CCN(C(=O)COC)CC1.
What is the InChIKey of butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate?
The InChIKey is BSNBXWNAEATCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-9-18-12(16)14-7-5-13(6-8-14)11(15)10-17-2/h3-10H2,1-2H3.
What are the key properties of butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate?
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 108569961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).