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

C19H26N4O2 — CID 97126721

IUPAC1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCN1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-5-14(13-22)17(24)23-11-8-19(9-12-23)18(25)20-15-6-2-3-7-16(15)21-19/h2-3,6-7,14,21H,4-5,8-13H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyLQXKZEFIHXBTNL-CQSZACIVSA-N
MW342.44 g/mol
LogP1.75
Rot. Bonds1

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

1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 97126721) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID97126721
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCN1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-5-14(13-22)17(24)23-11-8-19(9-12-23)18(25)20-15-6-2-3-7-16(15)21-19/h2-3,6-7,14,21H,4-5,8-13H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyLQXKZEFIHXBTNL-CQSZACIVSA-N
XLogP1.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 97126721) is 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CN1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1.
What is the InChIKey of 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is LQXKZEFIHXBTNL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-10-4-5-14(13-22)17(24)23-11-8-19(9-12-23)18(25)20-15-6-2-3-7-16(15)21-19/h2-3,6-7,14,21H,4-5,8-13H2,1H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 97126721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).