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

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Launch Full Analysis

Related Compounds

2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
(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
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
(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
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
2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
CID 169078031
[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
N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-3,3-dimethylbutanamide
CID 129241040

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).