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

C23H30N6O — CID 129251140

IUPACN-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CC2CCCN(C)C2)(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C23H30N6O/c1-16-11-23(15-25-13-16,28-20(30)10-17-4-3-9-29(2)14-17)19-6-5-18(12-24)21-22(19)27-8-7-26-21/h5-8,16-17,25H,3-4,9-11,13-15H2,1-2H3,(H,28,30)/t16-,17?,23-/m0/s1
InChIKeyPASAHZPOUGOGDC-UPDSHLEGSA-N
MW406.53 g/mol
LogP2.17
Rot. Bonds4

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

N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide (PubChem CID 129251140) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
PubChem CID129251140
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CC2CCCN(C)C2)(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C23H30N6O/c1-16-11-23(15-25-13-16,28-20(30)10-17-4-3-9-29(2)14-17)19-6-5-18(12-24)21-22(19)27-8-7-26-21/h5-8,16-17,25H,3-4,9-11,13-15H2,1-2H3,(H,28,30)/t16-,17?,23-/m0/s1
InChIKeyPASAHZPOUGOGDC-UPDSHLEGSA-N
XLogP2.17
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide (CID 129251140) is N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide is C[C@@H]1CNC[C@](NC(=O)CC2CCCN(C)C2)(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is PASAHZPOUGOGDC-UPDSHLEGSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16-11-23(15-25-13-16,28-20(30)10-17-4-3-9-29(2)14-17)19-6-5-18(12-24)21-22(19)27-8-7-26-21/h5-8,16-17,25H,3-4,9-11,13-15H2,1-2H3,(H,28,30)/t16-,17?,23-/m0/s1.
What are the key properties of N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide?
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 129251140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).