1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C21H25N3O2 — CID 70714136

IUPAC1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CCCOc2ccccc2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C21H25N3O2/c25-20-21(11-13-22-14-12-21)23-18-9-4-5-10-19(18)24(20)15-6-16-26-17-7-2-1-3-8-17/h1-5,7-10,22-23H,6,11-16H2
InChIKeyAVLBVRDHAKXWFY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70714136) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70714136
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CCCOc2ccccc2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C21H25N3O2/c25-20-21(11-13-22-14-12-21)23-18-9-4-5-10-19(18)24(20)15-6-16-26-17-7-2-1-3-8-17/h1-5,7-10,22-23H,6,11-16H2
InChIKeyAVLBVRDHAKXWFY-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70714136) is 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is O=C1N(CCCOc2ccccc2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is AVLBVRDHAKXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20-21(11-13-22-14-12-21)23-18-9-4-5-10-19(18)24(20)15-6-16-26-17-7-2-1-3-8-17/h1-5,7-10,22-23H,6,11-16H2.
What are the key properties of 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70714136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).