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

C11H20N2O3 — CID 142734941

IUPACbutyl 4-(2-oxoethyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(CC=O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-10-16-11(15)13-6-4-12(5-7-13)8-9-14/h9H,2-8,10H2,1H3
InChIKeyLMHHHGDBMOFBAU-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.74
Rot. Bonds5

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

butyl 4-(2-oxoethyl)piperazine-1-carboxylate (PubChem CID 142734941) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is butyl 4-(2-oxoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-oxoethyl)piperazine-1-carboxylate
PubChem CID142734941
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namebutyl 4-(2-oxoethyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(CC=O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-10-16-11(15)13-6-4-12(5-7-13)8-9-14/h9H,2-8,10H2,1H3
InChIKeyLMHHHGDBMOFBAU-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
CID 108569961
butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
CID 66713226
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
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-oxoethyl)piperazine-1-carboxylate?
The IUPAC name of butyl 4-(2-oxoethyl)piperazine-1-carboxylate (CID 142734941) is butyl 4-(2-oxoethyl)piperazine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-oxoethyl)piperazine-1-carboxylate?
The canonical SMILES for butyl 4-(2-oxoethyl)piperazine-1-carboxylate is CCCCOC(=O)N1CCN(CC=O)CC1.
What is the InChIKey of butyl 4-(2-oxoethyl)piperazine-1-carboxylate?
The InChIKey is LMHHHGDBMOFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-10-16-11(15)13-6-4-12(5-7-13)8-9-14/h9H,2-8,10H2,1H3.
What are the key properties of butyl 4-(2-oxoethyl)piperazine-1-carboxylate?
butyl 4-(2-oxoethyl)piperazine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-oxoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 142734941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).