N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

C21H25F2N7O — CID 129240705

IUPACN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1
InChIInChI=1S/C21H25F2N7O/c1-28-6-8-29(9-7-28)13-18(31)27-16-10-21(22,23)14-30(12-16)17-3-2-15(11-24)19-20(17)26-5-4-25-19/h2-5,16H,6-10,12-14H2,1H3,(H,27,31)
InChIKeyLRNYPHOFZYURNM-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.08
Rot. Bonds4

About N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 129240705) has the molecular formula C21H25F2N7O and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID129240705
Molecular FormulaC21H25F2N7O
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC NameN-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1
InChIInChI=1S/C21H25F2N7O/c1-28-6-8-29(9-7-28)13-18(31)27-16-10-21(22,23)14-30(12-16)17-3-2-15(11-24)19-20(17)26-5-4-25-19/h2-5,16H,6-10,12-14H2,1H3,(H,27,31)
InChIKeyLRNYPHOFZYURNM-UHFFFAOYSA-N
XLogP1.08
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 129240705) is N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1.
What is the InChIKey of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is LRNYPHOFZYURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O/c1-28-6-8-29(9-7-28)13-18(31)27-16-10-21(22,23)14-30(12-16)17-3-2-15(11-24)19-20(17)26-5-4-25-19/h2-5,16H,6-10,12-14H2,1H3,(H,27,31).
What are the key properties of N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 129240705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).