tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C21H26N4O3 — CID 10571969

IUPACtert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCCC1)c1ccccc1-2
InChIInChI=1S/C21H26N4O3/c1-21(2,3)28-19(26)18-17-13-24(20(27)23-11-7-4-8-12-23)15-9-5-6-10-16(15)25(17)14-22-18/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3
InChIKeyJMDMFJSTIVZXPV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10571969) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10571969
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nametert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCCC1)c1ccccc1-2
InChIInChI=1S/C21H26N4O3/c1-21(2,3)28-19(26)18-17-13-24(20(27)23-11-7-4-8-12-23)15-9-5-6-10-16(15)25(17)14-22-18/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3
InChIKeyJMDMFJSTIVZXPV-UHFFFAOYSA-N
XLogP3.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

t-butyl 5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 398203
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CID 44378382
tert-butyl 5-acetyl-7-fluoro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045358
U 93631
CID 197626
ditert-butyl 4H-imidazo[1,5-a]quinoxaline-3,5-dicarboxylate
CID 9976485
tert-butyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10448284
tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10499798
tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10545247
tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10810056
tert-butyl 5-(2-chlorobenzoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10024513
Tert-butyl 7-chloro-5-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10027266
tert-butyl 7-chloro-5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10095065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10571969) is tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCCC1)c1ccccc1-2.
What is the InChIKey of tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is JMDMFJSTIVZXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-21(2,3)28-19(26)18-17-13-24(20(27)23-11-7-4-8-12-23)15-9-5-6-10-16(15)25(17)14-22-18/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3.
What are the key properties of tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10571969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).