[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone

C24H28N4O — CID 136872758

IUPAC[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C24H28N4O/c29-22(18-9-2-1-3-10-18)28-16-8-15-24(17-28)23(25-19-11-4-5-12-19)26-20-13-6-7-14-21(20)27-24/h1-3,6-7,9-10,13-14,19,27H,4-5,8,11-12,15-17H2,(H,25,26)/t24-/m1/s1
InChIKeyDOXTXWORBBVLDG-XMMPIXPASA-N
MW388.51 g/mol
LogP4.54
Rot. Bonds2

About [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone

[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone (PubChem CID 136872758) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
PubChem CID136872758
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C24H28N4O/c29-22(18-9-2-1-3-10-18)28-16-8-15-24(17-28)23(25-19-11-4-5-12-19)26-20-13-6-7-14-21(20)27-24/h1-3,6-7,9-10,13-14,19,27H,4-5,8,11-12,15-17H2,(H,25,26)/t24-/m1/s1
InChIKeyDOXTXWORBBVLDG-XMMPIXPASA-N
XLogP4.54
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone
CID 136666781
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136743815
[(3S)-2-cyclopentyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 136872963
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
CID 136730739
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone
CID 137239002
(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
CID 136872678
N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 136666777
[(2R)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(2,4-dimethoxyphenyl)methanone
CID 136872794
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(4-methoxy-2-methylphenyl)methanone
CID 136730734
[(2R)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4-chloro-1-ethylpyrazol-3-yl)methanone
CID 136872826
(4-chloro-1-ethylpyrazol-3-yl)-[(3S)-2-cyclopentyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]methanone
CID 136872989

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone?
The IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone (CID 136872758) is [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone?
The canonical SMILES for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1.
What is the InChIKey of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone?
The InChIKey is DOXTXWORBBVLDG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N4O/c29-22(18-9-2-1-3-10-18)28-16-8-15-24(17-28)23(25-19-11-4-5-12-19)26-20-13-6-7-14-21(20)27-24/h1-3,6-7,9-10,13-14,19,27H,4-5,8,11-12,15-17H2,(H,25,26)/t24-/m1/s1.
What are the key properties of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone?
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone has a molecular weight of 388.51 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone is sourced from PubChem (CID 136872758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).