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

C18H22N6O — CID 169078031

IUPAC2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
SMILESC[C@@H]1C[C@@H](N(C)CC(N)=O)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C18H22N6O/c1-12-7-14(23(2)11-16(20)25)10-24(9-12)15-4-3-13(8-19)17-18(15)22-6-5-21-17/h3-6,12,14H,7,9-11H2,1-2H3,(H2,20,25)/t12-,14-/m1/s1
InChIKeyNIFNUEYMQNCOMD-TZMCWYRMSA-N
MW338.42 g/mol
LogP1.13
Rot. Bonds4

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

2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide (PubChem CID 169078031) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
PubChem CID169078031
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
SMILESC[C@@H]1C[C@@H](N(C)CC(N)=O)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C18H22N6O/c1-12-7-14(23(2)11-16(20)25)10-24(9-12)15-4-3-13(8-19)17-18(15)22-6-5-21-17/h3-6,12,14H,7,9-11H2,1-2H3,(H2,20,25)/t12-,14-/m1/s1
InChIKeyNIFNUEYMQNCOMD-TZMCWYRMSA-N
XLogP1.13
TPSA99.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
CID 163910018
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 146329429
tert-butyl 2-[(3S,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-N-methylcarbamate;8-[(3R,5S)-3-ethyl-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;iodomethane;dihydrochloride
CID 162062936
(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
CID 162471317
8-[(3S,5S)-3-methyl-5-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]quinoxaline-5-carbonitrile
CID 160969535
(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
(3R)-N-[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 169078053
(3S)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 129240646
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-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide?
The IUPAC name of 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide (CID 169078031) is 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide is C[C@@H]1C[C@@H](N(C)CC(N)=O)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide?
The InChIKey is NIFNUEYMQNCOMD-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-7-14(23(2)11-16(20)25)10-24(9-12)15-4-3-13(8-19)17-18(15)22-6-5-21-17/h3-6,12,14H,7,9-11H2,1-2H3,(H2,20,25)/t12-,14-/m1/s1.
What are the key properties of 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide?
2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide has a molecular weight of 338.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide is sourced from PubChem (CID 169078031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).