1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone

C25H31N5O2 — CID 156601945

IUPAC1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H31N5O2/c1-32-21-12-5-2-8-18(21)16-22(31)30-15-7-13-25(17-30)24(27-19-9-3-4-10-19)28-23-20(29-25)11-6-14-26-23/h2,5-6,8,11-12,14,19,29H,3-4,7,9-10,13,15-17H2,1H3,(H,26,27,28)
InChIKeyGTYOPOGKLCHSEM-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone

1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 156601945) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID156601945
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H31N5O2/c1-32-21-12-5-2-8-18(21)16-22(31)30-15-7-13-25(17-30)24(27-19-9-3-4-10-19)28-23-20(29-25)11-6-14-26-23/h2,5-6,8,11-12,14,19,29H,3-4,7,9-10,13,15-17H2,1H3,(H,26,27,28)
InChIKeyGTYOPOGKLCHSEM-UHFFFAOYSA-N
XLogP3.87
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
CID 136730739
(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730753
1-[(2S)-3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-2-(4-methoxyphenoxy)ethanone
CID 136873077
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
2-(2-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124971378
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136743815
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone (CID 156601945) is 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C1CCCC1.
What is the InChIKey of 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is GTYOPOGKLCHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-21-12-5-2-8-18(21)16-22(31)30-15-7-13-25(17-30)24(27-19-9-3-4-10-19)28-23-20(29-25)11-6-14-26-23/h2,5-6,8,11-12,14,19,29H,3-4,7,9-10,13,15-17H2,1H3,(H,26,27,28).
What are the key properties of 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone?
1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 433.56 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 156601945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).