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

C19H22N4O — CID 70711248

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H22N4O/c1-14-5-4-10-20-17(14)13-23-11-8-19(9-12-23)18(24)21-15-6-2-3-7-16(15)22-19/h2-7,10,22H,8-9,11-13H2,1H3,(H,21,24)
InChIKeyLCBPDQCZIPFRQY-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.79
Rot. Bonds2

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

1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70711248) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70711248
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H22N4O/c1-14-5-4-10-20-17(14)13-23-11-8-19(9-12-23)18(24)21-15-6-2-3-7-16(15)22-19/h2-7,10,22H,8-9,11-13H2,1H3,(H,21,24)
InChIKeyLCBPDQCZIPFRQY-UHFFFAOYSA-N
XLogP2.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70711248) is 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is LCBPDQCZIPFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-5-4-10-20-17(14)13-23-11-8-19(9-12-23)18(24)21-15-6-2-3-7-16(15)22-19/h2-7,10,22H,8-9,11-13H2,1H3,(H,21,24).
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70711248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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