ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate

C20H22N4O4 — CID 20884665

IUPACethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2ncn3c(cc4ccccc43)c2=O)C1
InChIInChI=1S/C20H22N4O4/c1-2-28-20(27)15-7-5-9-22(11-15)18(25)12-24-19(26)17-10-14-6-3-4-8-16(14)23(17)13-21-24/h3-4,6,8,10,13,15H,2,5,7,9,11-12H2,1H3
InChIKeyFAJXUDYBCDALDA-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.45
Rot. Bonds4

About ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate (PubChem CID 20884665) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
PubChem CID20884665
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2ncn3c(cc4ccccc43)c2=O)C1
InChIInChI=1S/C20H22N4O4/c1-2-28-20(27)15-7-5-9-22(11-15)18(25)12-24-19(26)17-10-14-6-3-4-8-16(14)23(17)13-21-24/h3-4,6,8,10,13,15H,2,5,7,9,11-12H2,1H3
InChIKeyFAJXUDYBCDALDA-UHFFFAOYSA-N
XLogP1.45
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
CID 84553269
ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
ethyl (3S)-1-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylate
CID 51565761
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
CID 55345323
ethyl 1-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate
CID 15997395
ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 20880042
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate (CID 20884665) is ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cn2ncn3c(cc4ccccc43)c2=O)C1.
What is the InChIKey of ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is FAJXUDYBCDALDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-28-20(27)15-7-5-9-22(11-15)18(25)12-24-19(26)17-10-14-6-3-4-8-16(14)23(17)13-21-24/h3-4,6,8,10,13,15H,2,5,7,9,11-12H2,1H3.
What are the key properties of ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 20884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).