1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C21H32N4O — CID 70764639

IUPAC1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)(CN1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCCC1
InChIInChI=1S/C21H32N4O/c1-20(2,25-12-6-3-7-13-25)16-24-14-10-21(11-15-24)19(26)22-17-8-4-5-9-18(17)23-21/h4-5,8-9,23H,3,6-7,10-16H2,1-2H3,(H,22,26)
InChIKeyFLALCGBUAXVIPX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.15
Rot. Bonds3

About 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70764639) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70764639
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)(CN1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCCC1
InChIInChI=1S/C21H32N4O/c1-20(2,25-12-6-3-7-13-25)16-24-14-10-21(11-15-24)19(26)22-17-8-4-5-9-18(17)23-21/h4-5,8-9,23H,3,6-7,10-16H2,1-2H3,(H,22,26)
InChIKeyFLALCGBUAXVIPX-UHFFFAOYSA-N
XLogP3.15
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70764639) is 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC(C)(CN1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCCC1.
What is the InChIKey of 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is FLALCGBUAXVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-20(2,25-12-6-3-7-13-25)16-24-14-10-21(11-15-24)19(26)22-17-8-4-5-9-18(17)23-21/h4-5,8-9,23H,3,6-7,10-16H2,1-2H3,(H,22,26).
What are the key properties of 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70764639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).