butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate

C16H26N2O5 — CID 118309759

IUPACbutyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(CC(=O)OC)(N2CCC(=O)CC2)C1
InChIInChI=1S/C16H26N2O5/c1-3-4-9-23-15(21)17-11-16(12-17,10-14(20)22-2)18-7-5-13(19)6-8-18/h3-12H2,1-2H3
InChIKeyWRCRDQIUEZICIW-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.21
Rot. Bonds6

About butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate

butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate (PubChem CID 118309759) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate
PubChem CID118309759
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Namebutyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(CC(=O)OC)(N2CCC(=O)CC2)C1
InChIInChI=1S/C16H26N2O5/c1-3-4-9-23-15(21)17-11-16(12-17,10-14(20)22-2)18-7-5-13(19)6-8-18/h3-12H2,1-2H3
InChIKeyWRCRDQIUEZICIW-UHFFFAOYSA-N
XLogP1.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate with MolForge

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Related Compounds

butyl 4-oxoazepane-1-carboxylate
CID 23137098
butyl aziridine-1-carboxylate
CID 12641
butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175978634
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 97291667
CID 88566510
CID 88566510
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
CID 108569961
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 150038372
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881

Frequently Asked Questions

What is the IUPAC name of butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate?
The IUPAC name of butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate (CID 118309759) is butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate?
The canonical SMILES for butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate is CCCCOC(=O)N1CC(CC(=O)OC)(N2CCC(=O)CC2)C1.
What is the InChIKey of butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate?
The InChIKey is WRCRDQIUEZICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-3-4-9-23-15(21)17-11-16(12-17,10-14(20)22-2)18-7-5-13(19)6-8-18/h3-12H2,1-2H3.
What are the key properties of butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate?
butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 118309759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).