butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

C14H25NO4 — CID 70848391

IUPACbutyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC(=O)OCC)CC1
InChIInChI=1S/C14H25NO4/c1-3-5-10-19-14(17)15-8-6-12(7-9-15)11-13(16)18-4-2/h12H,3-11H2,1-2H3
InChIKeySMYYYDJEXXVUJK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds6

About butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 70848391) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID70848391
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namebutyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC(=O)OCC)CC1
InChIInChI=1S/C14H25NO4/c1-3-5-10-19-14(17)15-8-6-12(7-9-15)11-13(16)18-4-2/h12H,3-11H2,1-2H3
InChIKeySMYYYDJEXXVUJK-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
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

methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
butyl aziridine-1-carboxylate
CID 12641
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 150128918
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 70848391) is butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(CC(=O)OCC)CC1.
What is the InChIKey of butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is SMYYYDJEXXVUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-5-10-19-14(17)15-8-6-12(7-9-15)11-13(16)18-4-2/h12H,3-11H2,1-2H3.
What are the key properties of butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 70848391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).