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

C17H25N3O2 — CID 70728043

IUPAC1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCCCOCCN1C(=O)C2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-2-12-22-13-11-20-15-6-4-3-5-14(15)19-17(16(20)21)7-9-18-10-8-17/h3-6,18-19H,2,7-13H2,1H3
InChIKeyOVTLFFYZUCGODJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds5

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

1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70728043) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70728043
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCCCOCCN1C(=O)C2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-2-12-22-13-11-20-15-6-4-3-5-14(15)19-17(16(20)21)7-9-18-10-8-17/h3-6,18-19H,2,7-13H2,1H3
InChIKeyOVTLFFYZUCGODJ-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
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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Related Compounds

1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154895737
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897227
1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70711227
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
CID 96575818
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70751368

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70728043) is 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is CCCOCCN1C(=O)C2(CCNCC2)Nc2ccccc21.
What is the InChIKey of 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is OVTLFFYZUCGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-12-22-13-11-20-15-6-4-3-5-14(15)19-17(16(20)21)7-9-18-10-8-17/h3-6,18-19H,2,7-13H2,1H3.
What are the key properties of 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70728043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).