6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one

C18H23N3O2 — CID 143693037

IUPAC6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one
SMILES[H]/N=C1\CC2(CC(=O)N1c1cccc(OC)c1)CN1CCC2CC1
InChIInChI=1S/C18H23N3O2/c1-23-15-4-2-3-14(9-15)21-16(19)10-18(11-17(21)22)12-20-7-5-13(18)6-8-20/h2-4,9,13,19H,5-8,10-12H2,1H3/b19-16+
InChIKeyGZBGGQYNJQBYHZ-KNTRCKAVSA-N
MW313.40 g/mol
LogP2.51
Rot. Bonds2

About 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one

6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one (PubChem CID 143693037) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one.

Molecular Properties

Compound Name6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one
PubChem CID143693037
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one
SMILES[H]/N=C1\CC2(CC(=O)N1c1cccc(OC)c1)CN1CCC2CC1
InChIInChI=1S/C18H23N3O2/c1-23-15-4-2-3-14(9-15)21-16(19)10-18(11-17(21)22)12-20-7-5-13(18)6-8-20/h2-4,9,13,19H,5-8,10-12H2,1H3/b19-16+
InChIKeyGZBGGQYNJQBYHZ-KNTRCKAVSA-N
XLogP2.51
TPSA56.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-imino-3-(4-methoxyphenyl)spiro[1,3-oxazinane-6,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 15603037
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 12938005
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100810508
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61369779
5'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3,6-dihydro-1H-1,4-diazepine]-7'-one
CID 56930346
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375

Frequently Asked Questions

What is the IUPAC name of 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one?
The IUPAC name of 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one (CID 143693037) is 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one.
What is the SMILES notation for 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one?
The canonical SMILES for 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one is [H]/N=C1\CC2(CC(=O)N1c1cccc(OC)c1)CN1CCC2CC1.
What is the InChIKey of 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one?
The InChIKey is GZBGGQYNJQBYHZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-15-4-2-3-14(9-15)21-16(19)10-18(11-17(21)22)12-20-7-5-13(18)6-8-20/h2-4,9,13,19H,5-8,10-12H2,1H3/b19-16+.
What are the key properties of 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one?
6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one has a molecular weight of 313.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-imino-1'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,4'-piperidine]-2'-one is sourced from PubChem (CID 143693037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).