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

C21H29N7O2 — CID 146329429

IUPAC2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESCC1C[C@@H](NC(=O)CN(CCN)CCO)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C21H29N7O2/c1-15-10-17(26-19(30)14-27(7-4-22)8-9-29)13-28(12-15)18-3-2-16(11-23)20-21(18)25-6-5-24-20/h2-3,5-6,15,17,29H,4,7-10,12-14,22H2,1H3,(H,26,30)/t15?,17-/m1/s1
InChIKeyBMRMBCQTDIPNMO-OMOCHNIRSA-N
MW411.51 g/mol
LogP0.09
Rot. Bonds8

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

2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide (PubChem CID 146329429) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
PubChem CID146329429
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESCC1C[C@@H](NC(=O)CN(CCN)CCO)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C21H29N7O2/c1-15-10-17(26-19(30)14-27(7-4-22)8-9-29)13-28(12-15)18-3-2-16(11-23)20-21(18)25-6-5-24-20/h2-3,5-6,15,17,29H,4,7-10,12-14,22H2,1H3,(H,26,30)/t15?,17-/m1/s1
InChIKeyBMRMBCQTDIPNMO-OMOCHNIRSA-N
XLogP0.09
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide (CID 146329429) is 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide is CC1C[C@@H](NC(=O)CN(CCN)CCO)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The InChIKey is BMRMBCQTDIPNMO-OMOCHNIRSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-15-10-17(26-19(30)14-27(7-4-22)8-9-29)13-28(12-15)18-3-2-16(11-23)20-21(18)25-6-5-24-20/h2-3,5-6,15,17,29H,4,7-10,12-14,22H2,1H3,(H,26,30)/t15?,17-/m1/s1.
What are the key properties of 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide?
2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 146329429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).