1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide

C22H28N6O — CID 129241249

IUPAC1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
SMILESCC1CC(C(=O)NC2CCCN(C)C2)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C22H28N6O/c1-15-10-17(22(29)26-18-4-3-9-27(2)14-18)13-28(12-15)19-6-5-16(11-23)20-21(19)25-8-7-24-20/h5-8,15,17-18H,3-4,9-10,12-14H2,1-2H3,(H,26,29)
InChIKeyWRDWVNHTZBSECG-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.17
Rot. Bonds3

About 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide

1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide (PubChem CID 129241249) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
PubChem CID129241249
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
SMILESCC1CC(C(=O)NC2CCCN(C)C2)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C22H28N6O/c1-15-10-17(22(29)26-18-4-3-9-27(2)14-18)13-28(12-15)19-6-5-16(11-23)20-21(19)25-8-7-24-20/h5-8,15,17-18H,3-4,9-10,12-14H2,1-2H3,(H,26,29)
InChIKeyWRDWVNHTZBSECG-UHFFFAOYSA-N
XLogP2.17
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 146229440
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1,1-dioxothietan-3-yl)acetamide
CID 146329452
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
CID 146424788
8-[(3S,5S)-3-[3-(1,4-dimethylpiperidin-4-yl)-2-oxopropyl]-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile
CID 161437203
[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
CID 163910018
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 129241478
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 137423816
(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
CID 129241062
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 137423766
8-[(3S,5S)-3-methyl-5-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]quinoxaline-5-carbonitrile
CID 160969535

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide (CID 129241249) is 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide is CC1CC(C(=O)NC2CCCN(C)C2)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
The InChIKey is WRDWVNHTZBSECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-10-17(22(29)26-18-4-3-9-27(2)14-18)13-28(12-15)19-6-5-16(11-23)20-21(19)25-8-7-24-20/h5-8,15,17-18H,3-4,9-10,12-14H2,1-2H3,(H,26,29).
What are the key properties of 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide?
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 129241249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).