ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate

C19H31N3O2 — CID 95139916

IUPACethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-24-19(23)17(2)22-14-12-21(13-15-22)11-10-20(3)16-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3/t17-/m1/s1
InChIKeyBAOCFVUUDJFYLL-QGZVFWFLSA-N
MW333.48 g/mol
LogP1.69
Rot. Bonds8

About ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate

ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate (PubChem CID 95139916) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
PubChem CID95139916
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nameethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-24-19(23)17(2)22-14-12-21(13-15-22)11-10-20(3)16-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3/t17-/m1/s1
InChIKeyBAOCFVUUDJFYLL-QGZVFWFLSA-N
XLogP1.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
ethyl 2-(1,3-dihydroisoindol-2-yl)propanoate
CID 62206095
2-[3-[[2-(4-butoxycarbonylpiperazin-1-yl)ethyl-methylamino]methyl]phenyl]propanoic acid
CID 69100028
ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
CID 160558993
benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
CID 161163924
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate (CID 95139916) is ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate is CCOC(=O)[C@@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1.
What is the InChIKey of ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate?
The InChIKey is BAOCFVUUDJFYLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-24-19(23)17(2)22-14-12-21(13-15-22)11-10-20(3)16-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate?
ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate has a molecular weight of 333.48 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 95139916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).