tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate

C15H22N2O4 — CID 175062409

IUPACtert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2C(=O)C=CNC2=O)C1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-4-5-10(9-17)12-11(18)6-7-16-13(12)19/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyJUZZCNDINUWZBD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds1

About tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 175062409) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate
PubChem CID175062409
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2C(=O)C=CNC2=O)C1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-4-5-10(9-17)12-11(18)6-7-16-13(12)19/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyJUZZCNDINUWZBD-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 125041566
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
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tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
CID 165455278
tert-butyl 3-(5-iodo-4-oxo-4a,5-dihydro-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 137476187
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
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tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate (CID 175062409) is tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2C(=O)C=CNC2=O)C1.
What is the InChIKey of tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is JUZZCNDINUWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-4-5-10(9-17)12-11(18)6-7-16-13(12)19/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,4-dioxo-1H-pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175062409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).