ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate

C26H34N4O3 — CID 53008760

IUPACethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)CC1
InChIInChI=1S/C26H34N4O3/c1-2-33-24(31)20-11-9-19(10-12-20)18-27-25(32)29-16-13-26(14-17-29)23-8-5-15-30(23)22-7-4-3-6-21(22)28-26/h3-8,15,19-20,28H,2,9-14,16-18H2,1H3,(H,27,32)
InChIKeyRFMZSSYGRIWAKW-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.27
Rot. Bonds4

About ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate

ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 53008760) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID53008760
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Nameethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)CC1
InChIInChI=1S/C26H34N4O3/c1-2-33-24(31)20-11-9-19(10-12-20)18-27-25(32)29-16-13-26(14-17-29)23-8-5-15-30(23)22-7-4-3-6-21(22)28-26/h3-8,15,19-20,28H,2,9-14,16-18H2,1H3,(H,27,32)
InChIKeyRFMZSSYGRIWAKW-UHFFFAOYSA-N
XLogP4.27
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 53008765
ethyl 4-[[(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 20587797
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357526
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357458
ethyl 4-[[[(4S)-4-(4-fluorophenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 92747232
N-(2-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580713
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
ethyl 4-[[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 92711961
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate (CID 53008760) is ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)CC1.
What is the InChIKey of ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is RFMZSSYGRIWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-2-33-24(31)20-11-9-19(10-12-20)18-27-25(32)29-16-13-26(14-17-29)23-8-5-15-30(23)22-7-4-3-6-21(22)28-26/h3-8,15,19-20,28H,2,9-14,16-18H2,1H3,(H,27,32).
What are the key properties of ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate?
ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 53008760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).