(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone

C24H30N4O4 — CID 136872678

IUPAC(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
SMILESCOCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)c1cc(OC)cc(OC)c1)C2
InChIInChI=1S/C24H30N4O4/c1-30-12-10-25-23-24(27-21-8-5-4-7-20(21)26-23)9-6-11-28(16-24)22(29)17-13-18(31-2)15-19(14-17)32-3/h4-5,7-8,13-15,27H,6,9-12,16H2,1-3H3,(H,25,26)/t24-/m1/s1
InChIKeyJOOPPHWMWRHHIC-XMMPIXPASA-N
MW438.53 g/mol
LogP3.26
Rot. Bonds6

About (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone

(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone (PubChem CID 136872678) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
PubChem CID136872678
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
SMILESCOCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)c1cc(OC)cc(OC)c1)C2
InChIInChI=1S/C24H30N4O4/c1-30-12-10-25-23-24(27-21-8-5-4-7-20(21)26-23)9-6-11-28(16-24)22(29)17-13-18(31-2)15-19(14-17)32-3/h4-5,7-8,13-15,27H,6,9-12,16H2,1-3H3,(H,25,26)/t24-/m1/s1
InChIKeyJOOPPHWMWRHHIC-XMMPIXPASA-N
XLogP3.26
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)-[(2S)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
CID 136872683
(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136733886
[(2R)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(2,4-dimethoxyphenyl)methanone
CID 136872794
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136872758
N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
CID 136666775
1-[(2S)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-2-(4-methoxyphenoxy)ethanone
CID 136872825
1H-indol-6-yl-[(3R)-2-(2-methoxyethylimino)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]methanone
CID 136675129
N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 136666777
(5-chloro-2-fluorophenyl)-[2-(2-methoxyethylimino)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]methanone
CID 136666849
(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136675150
[(2R)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4-chloro-1-ethylpyrazol-3-yl)methanone
CID 136872826
[(2S)-3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 136730715

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone (CID 136872678) is (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone is COCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)c1cc(OC)cc(OC)c1)C2.
What is the InChIKey of (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone?
The InChIKey is JOOPPHWMWRHHIC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N4O4/c1-30-12-10-25-23-24(27-21-8-5-4-7-20(21)26-23)9-6-11-28(16-24)22(29)17-13-18(31-2)15-19(14-17)32-3/h4-5,7-8,13-15,27H,6,9-12,16H2,1-3H3,(H,25,26)/t24-/m1/s1.
What are the key properties of (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone?
(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 136872678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).