1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C20H28N4O2 — CID 97155172

IUPAC1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCC1
InChIInChI=1S/C20H28N4O2/c1-2-17(23-11-5-6-12-23)18(25)24-13-9-20(10-14-24)19(26)21-15-7-3-4-8-16(15)22-20/h3-4,7-8,17,22H,2,5-6,9-14H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyYROWQRJRXUCCEN-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.29
Rot. Bonds3

About 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 97155172) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID97155172
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCC1
InChIInChI=1S/C20H28N4O2/c1-2-17(23-11-5-6-12-23)18(25)24-13-9-20(10-14-24)19(26)21-15-7-3-4-8-16(15)22-20/h3-4,7-8,17,22H,2,5-6,9-14H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyYROWQRJRXUCCEN-QGZVFWFLSA-N
XLogP2.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
1'-[(2S)-2-hydroxy-4-methylpentanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96575565
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
CID 97132124
1'-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96571095
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97151123
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580067
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774354
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961

Frequently Asked Questions

What is the IUPAC name of 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 97155172) is 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCC1.
What is the InChIKey of 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is YROWQRJRXUCCEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-17(23-11-5-6-12-23)18(25)24-13-9-20(10-14-24)19(26)21-15-7-3-4-8-16(15)22-20/h3-4,7-8,17,22H,2,5-6,9-14H2,1H3,(H,21,26)/t17-/m1/s1.
What are the key properties of 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 97155172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).