(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide

C24H31N5O2 — CID 136675150

IUPAC(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C(C)(C)C
InChIInChI=1S/C24H31N5O2/c1-23(2,3)28-21-24(27-18-11-6-5-10-17(18)25-21)14-9-15-29(16-24)22(30)26-19-12-7-8-13-20(19)31-4/h5-8,10-13,27H,9,14-16H2,1-4H3,(H,25,28)(H,26,30)/t24-/m1/s1
InChIKeyMOERGEWYTDTTSG-XMMPIXPASA-N
MW421.55 g/mol
LogP4.80
Rot. Bonds2

About (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide

(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide (PubChem CID 136675150) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
PubChem CID136675150
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C(C)(C)C
InChIInChI=1S/C24H31N5O2/c1-23(2,3)28-21-24(27-18-11-6-5-10-17(18)25-21)14-9-15-29(16-24)22(30)26-19-12-7-8-13-20(19)31-4/h5-8,10-13,27H,9,14-16H2,1-4H3,(H,25,28)(H,26,30)/t24-/m1/s1
InChIKeyMOERGEWYTDTTSG-XMMPIXPASA-N
XLogP4.80
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-2-(2-methoxyphenyl)ethanone
CID 136872775
[(2R)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(2,4-dimethoxyphenyl)methanone
CID 136872794
(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
CID 95722580
(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136733886
1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
CID 136666842
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
(2S)-3-tert-butylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730767
(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730750
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
[(3S)-2-tert-butyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-(2,4-dimethoxyphenyl)methanone
CID 136873029

Frequently Asked Questions

What is the IUPAC name of (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The IUPAC name of (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide (CID 136675150) is (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The canonical SMILES for (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide is COc1ccccc1NC(=O)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C(C)(C)C.
What is the InChIKey of (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The InChIKey is MOERGEWYTDTTSG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N5O2/c1-23(2,3)28-21-24(27-18-11-6-5-10-17(18)25-21)14-9-15-29(16-24)22(30)26-19-12-7-8-13-20(19)31-4/h5-8,10-13,27H,9,14-16H2,1-4H3,(H,25,28)(H,26,30)/t24-/m1/s1.
What are the key properties of (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 136675150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).