N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide

C23H27N5O2 — CID 136666777

IUPACN-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC2(C1)Nc1ccccc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-15-21(30)28-13-7-12-23(16-28)22(25-14-18-8-3-2-4-9-18)26-19-10-5-6-11-20(19)27-23/h2-6,8-11,27H,7,12-16H2,1H3,(H,24,29)(H,25,26)
InChIKeyQZNAFAUKKYAKCV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide

N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide (PubChem CID 136666777) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
PubChem CID136666777
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC2(C1)Nc1ccccc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-15-21(30)28-13-7-12-23(16-28)22(25-14-18-8-3-2-4-9-18)26-19-10-5-6-11-20(19)27-23/h2-6,8-11,27H,7,12-16H2,1H3,(H,24,29)(H,25,26)
InChIKeyQZNAFAUKKYAKCV-UHFFFAOYSA-N
XLogP2.62
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.62
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

(3,5-dimethoxyphenyl)-[(2R)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
CID 136872678
1-[(2S)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-2-(2-methoxyphenyl)ethanone
CID 136872775
(3-chlorophenyl)-[(2S)-3-(2-methoxyethylimino)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]methanone
CID 136872683
1-[(2S)-3-tert-butyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-2-(4-methoxyphenoxy)ethanone
CID 136872825
N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide
CID 137248268
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
N-benzylspiro[1,4-dihydropyrido[3,4-b]pyrazine-2,1'-cyclohexane]-3-imine;ethane
CID 145079170
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136675150
(2S)-1-(3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,4'-piperidine]-1'-yl)-2-methylbutan-1-one
CID 136730643
N-[(4-pyrrolidin-1-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104744
N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide (CID 136666777) is N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC2(C1)Nc1ccccc1N/C2=N\Cc1ccccc1.
What is the InChIKey of N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The InChIKey is QZNAFAUKKYAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(29)24-15-21(30)28-13-7-12-23(16-28)22(25-14-18-8-3-2-4-9-18)26-19-10-5-6-11-20(19)27-23/h2-6,8-11,27H,7,12-16H2,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 136666777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).