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

C17H20N6O — CID 129241344

IUPAC2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CN)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C17H20N6O/c1-11-6-13(22-15(24)8-19)10-23(9-11)14-3-2-12(7-18)16-17(14)21-5-4-20-16/h2-5,11,13H,6,8-10,19H2,1H3,(H,22,24)/t11-,13+/m0/s1
InChIKeyKXORCJIVCLENPF-WCQYABFASA-N
MW324.39 g/mol
LogP0.79
Rot. Bonds3

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

2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide (PubChem CID 129241344) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
PubChem CID129241344
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CN)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C17H20N6O/c1-11-6-13(22-15(24)8-19)10-23(9-11)14-3-2-12(7-18)16-17(14)21-5-4-20-16/h2-5,11,13H,6,8-10,19H2,1H3,(H,22,24)/t11-,13+/m0/s1
InChIKeyKXORCJIVCLENPF-WCQYABFASA-N
XLogP0.79
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide with MolForge

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Related Compounds

(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
CID 129241062
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1,1-dioxothietan-3-yl)acetamide
CID 146329452
2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 146329429
(3S)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 129240646
(3R)-N-[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 169078053
N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
tert-butyl N-[1-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]cyclopropyl]carbamate
CID 146316816
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 129241478
[3-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
CID 129240989
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
N-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]ethyl]methanesulfonamide
CID 146329643

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide (CID 129241344) is 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide is C[C@H]1C[C@@H](NC(=O)CN)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The InChIKey is KXORCJIVCLENPF-WCQYABFASA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-6-13(22-15(24)8-19)10-23(9-11)14-3-2-12(7-18)16-17(14)21-5-4-20-16/h2-5,11,13H,6,8-10,19H2,1H3,(H,22,24)/t11-,13+/m0/s1.
What are the key properties of 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 129241344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).