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

C20H24N4O3 — CID 46357467

IUPACmethyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C20H24N4O3/c1-14(18(25)27-2)21-19(26)23-12-9-20(10-13-23)17-8-5-11-24(17)16-7-4-3-6-15(16)22-20/h3-8,11,14,22H,9-10,12-13H2,1-2H3,(H,21,26)
InChIKeyAAGXBCMELBYINH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.46
Rot. Bonds2

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

methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate (PubChem CID 46357467) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
PubChem CID46357467
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C20H24N4O3/c1-14(18(25)27-2)21-19(26)23-12-9-20(10-13-23)17-8-5-11-24(17)16-7-4-3-6-15(16)22-20/h3-8,11,14,22H,9-10,12-13H2,1-2H3,(H,21,26)
InChIKeyAAGXBCMELBYINH-UHFFFAOYSA-N
XLogP2.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate?
The IUPAC name of methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate (CID 46357467) is methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate is COC(=O)C(C)NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate?
The InChIKey is AAGXBCMELBYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(18(25)27-2)21-19(26)23-12-9-20(10-13-23)17-8-5-11-24(17)16-7-4-3-6-15(16)22-20/h3-8,11,14,22H,9-10,12-13H2,1-2H3,(H,21,26).
What are the key properties of methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate?
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate has a molecular weight of 368.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate is sourced from PubChem (CID 46357467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).