N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C20H26N4O — CID 46357472

IUPACN-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C20H26N4O/c1-15(2)14-21-19(25)23-12-9-20(10-13-23)18-8-5-11-24(18)17-7-4-3-6-16(17)22-20/h3-8,11,15,22H,9-10,12-14H2,1-2H3,(H,21,25)
InChIKeyKKYMDECMMXZCCE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.56
Rot. Bonds2

About N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357472) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357472
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C20H26N4O/c1-15(2)14-21-19(25)23-12-9-20(10-13-23)18-8-5-11-24(18)17-7-4-3-6-16(17)22-20/h3-8,11,15,22H,9-10,12-14H2,1-2H3,(H,21,25)
InChIKeyKKYMDECMMXZCCE-UHFFFAOYSA-N
XLogP3.56
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
N-(furan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357464
ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 53008760
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
N-[(2S)-butan-2-yl]-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 92752337
(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 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 71686720
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 53008765

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357472) is N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is CC(C)CNC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is KKYMDECMMXZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)14-21-19(25)23-12-9-20(10-13-23)18-8-5-11-24(18)17-7-4-3-6-16(17)22-20/h3-8,11,15,22H,9-10,12-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).