2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide

C22H26N6O — CID 57392415

IUPAC2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESNc1nc2ccccc2nc1NCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c23-21-22(27-19-9-5-4-8-18(19)26-21)24-14-20(29)25-17-10-12-28(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,23,26)(H,24,27)(H,25,29)
InChIKeyDGEIRSMNKQIVMM-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.40
Rot. Bonds6

About 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide

2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 57392415) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide
PubChem CID57392415
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESNc1nc2ccccc2nc1NCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c23-21-22(27-19-9-5-4-8-18(19)26-21)24-14-20(29)25-17-10-12-28(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,23,26)(H,24,27)(H,25,29)
InChIKeyDGEIRSMNKQIVMM-UHFFFAOYSA-N
XLogP2.40
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide (CID 57392415) is 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide is Nc1nc2ccccc2nc1NCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is DGEIRSMNKQIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-21-22(27-19-9-5-4-8-18(19)26-21)24-14-20(29)25-17-10-12-28(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,23,26)(H,24,27)(H,25,29).
What are the key properties of 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide?
2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinoxalin-2-yl)amino]-N-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 57392415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).