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

C22H26F2N6O — CID 129240801

IUPACN-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N[C@H]2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1
InChIInChI=1S/C22H26F2N6O/c1-29-8-4-15(5-9-29)10-19(31)28-17-11-22(23,24)14-30(13-17)18-3-2-16(12-25)20-21(18)27-7-6-26-20/h2-3,6-7,15,17H,4-5,8-11,13-14H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeySXOBJAXUXZAYCP-QGZVFWFLSA-N
MW428.49 g/mol
LogP2.56
Rot. Bonds4

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

N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 129240801) has the molecular formula C22H26F2N6O and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID129240801
Molecular FormulaC22H26F2N6O
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC NameN-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N[C@H]2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1
InChIInChI=1S/C22H26F2N6O/c1-29-8-4-15(5-9-29)10-19(31)28-17-11-22(23,24)14-30(13-17)18-3-2-16(12-25)20-21(18)27-7-6-26-20/h2-3,6-7,15,17H,4-5,8-11,13-14H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeySXOBJAXUXZAYCP-QGZVFWFLSA-N
XLogP2.56
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide (CID 129240801) is N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)N[C@H]2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1.
What is the InChIKey of N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is SXOBJAXUXZAYCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26F2N6O/c1-29-8-4-15(5-9-29)10-19(31)28-17-11-22(23,24)14-30(13-17)18-3-2-16(12-25)20-21(18)27-7-6-26-20/h2-3,6-7,15,17H,4-5,8-11,13-14H2,1H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 129240801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).