tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate

C19H26N4O4 — CID 163381687

IUPACtert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(n1)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-12-6-7-14-15(20-12)23(17(25)16(24)21(14)5)13-8-10-22(11-9-13)18(26)27-19(2,3)4/h6-7,13H,8-11H2,1-5H3
InChIKeyLAVZRISSTXDZRG-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.98
Rot. Bonds1

About tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate (PubChem CID 163381687) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate
PubChem CID163381687
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nametert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(n1)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-12-6-7-14-15(20-12)23(17(25)16(24)21(14)5)13-8-10-22(11-9-13)18(26)27-19(2,3)4/h6-7,13H,8-11H2,1-5H3
InChIKeyLAVZRISSTXDZRG-UHFFFAOYSA-N
XLogP1.98
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
CID 151172826
tert-butyl 4-(6-acetyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)piperidine-1-carboxylate
CID 155219799
tert-butyl 4-(6-bromo-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)piperidine-1-carboxylate
CID 166644561
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 176901245
tert-butyl 4-(5-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 87278624
tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
CID 156889220
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-[3-(3-bromopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71650694
tert-butyl 4-[1-(3-fluoro-6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960702
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate (CID 163381687) is tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate is Cc1ccc2c(n1)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)c(=O)n2C.
What is the InChIKey of tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate?
The InChIKey is LAVZRISSTXDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12-6-7-14-15(20-12)23(17(25)16(24)21(14)5)13-8-10-22(11-9-13)18(26)27-19(2,3)4/h6-7,13H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,6-dimethyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 163381687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).