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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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).