5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide

C23H32N6O — CID 146229440

IUPAC5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
SMILESC/N=C/c1ccc(N2CC(C)CC(C(=O)NC3CCCN(C)C3)C2)c2nccnc12
InChIInChI=1S/C23H32N6O/c1-16-11-18(23(30)27-19-5-4-10-28(3)15-19)14-29(13-16)20-7-6-17(12-24-2)21-22(20)26-9-8-25-21/h6-9,12,16,18-19H,4-5,10-11,13-15H2,1-3H3,(H,27,30)/b24-12+
InChIKeyPGLSQGJSHJKBSR-WYMPLXKRSA-N
MW408.55 g/mol
LogP2.35
Rot. Bonds4

About 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide

5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide (PubChem CID 146229440) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
PubChem CID146229440
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
SMILESC/N=C/c1ccc(N2CC(C)CC(C(=O)NC3CCCN(C)C3)C2)c2nccnc12
InChIInChI=1S/C23H32N6O/c1-16-11-18(23(30)27-19-5-4-10-28(3)15-19)14-29(13-16)20-7-6-17(12-24-2)21-22(20)26-9-8-25-21/h6-9,12,16,18-19H,4-5,10-11,13-15H2,1-3H3,(H,27,30)/b24-12+
InChIKeyPGLSQGJSHJKBSR-WYMPLXKRSA-N
XLogP2.35
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
2-(azetidin-1-yl)-N-[5,5-difluoro-1-[8-(methyliminomethyl)quinoxalin-5-yl]piperidin-3-yl]propanamide
CID 129276844
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
tert-butyl N-[(3R,5S)-1-(8-formylquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129241241
2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone
CID 146852678
4-hydroxy-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150764
2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 155461968
8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
CID 167500134
N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
CID 96998789
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1,1-dioxothietan-3-yl)acetamide
CID 146329452
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
CID 121411624

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide (CID 146229440) is 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide is C/N=C/c1ccc(N2CC(C)CC(C(=O)NC3CCCN(C)C3)C2)c2nccnc12.
What is the InChIKey of 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The InChIKey is PGLSQGJSHJKBSR-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H32N6O/c1-16-11-18(23(30)27-19-5-4-10-28(3)15-19)14-29(13-16)20-7-6-17(12-24-2)21-22(20)26-9-8-25-21/h6-9,12,16,18-19H,4-5,10-11,13-15H2,1-3H3,(H,27,30)/b24-12+.
What are the key properties of 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 146229440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).