butyl 2,4-dioxopiperidine-1-carboxylate

C10H15NO4 — CID 175709097

IUPACbutyl 2,4-dioxopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(=O)CC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-6-15-10(14)11-5-4-8(12)7-9(11)13/h2-7H2,1H3
InChIKeyFQTDDEBCBQPDCQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.11
Rot. Bonds3

About butyl 2,4-dioxopiperidine-1-carboxylate

butyl 2,4-dioxopiperidine-1-carboxylate (PubChem CID 175709097) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is butyl 2,4-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 2,4-dioxopiperidine-1-carboxylate
PubChem CID175709097
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namebutyl 2,4-dioxopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(=O)CC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-6-15-10(14)11-5-4-8(12)7-9(11)13/h2-7H2,1H3
InChIKeyFQTDDEBCBQPDCQ-UHFFFAOYSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

butyl 4-oxoazepane-1-carboxylate
CID 23137098
propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide
CID 134524988
butyl aziridine-1-carboxylate
CID 12641
(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 22868485
butyl 2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 90057870
1-butylpiperidine-2,4-dione
CID 79515410
butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 155046958
dibutyl (2S)-2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 166769769
(2S)-1-butoxycarbonyl-2-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 166769770
CID 88566510
CID 88566510
butyl 3-(2-methoxy-2-oxoethyl)-3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate
CID 118309759

Frequently Asked Questions

What is the IUPAC name of butyl 2,4-dioxopiperidine-1-carboxylate?
The IUPAC name of butyl 2,4-dioxopiperidine-1-carboxylate (CID 175709097) is butyl 2,4-dioxopiperidine-1-carboxylate.
What is the SMILES notation for butyl 2,4-dioxopiperidine-1-carboxylate?
The canonical SMILES for butyl 2,4-dioxopiperidine-1-carboxylate is CCCCOC(=O)N1CCC(=O)CC1=O.
What is the InChIKey of butyl 2,4-dioxopiperidine-1-carboxylate?
The InChIKey is FQTDDEBCBQPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-6-15-10(14)11-5-4-8(12)7-9(11)13/h2-7H2,1H3.
What are the key properties of butyl 2,4-dioxopiperidine-1-carboxylate?
butyl 2,4-dioxopiperidine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2,4-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 175709097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).