[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C19H32N4O3+2 — CID 9222635

IUPAC[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-5-22-10-12-23(13-11-22)19(25)15(2)21(3)14-18(24)20-16-6-8-17(26-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H,20,24)/p+2/t15-/m1/s1
InChIKeyOHVADOKMDGPVBC-OAHLLOKOSA-P
MW364.49 g/mol
LogP-1.72
Rot. Bonds7

About [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9222635) has the molecular formula C19H32N4O3+2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9222635
Molecular FormulaC19H32N4O3+2
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-5-22-10-12-23(13-11-22)19(25)15(2)21(3)14-18(24)20-16-6-8-17(26-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H,20,24)/p+2/t15-/m1/s1
InChIKeyOHVADOKMDGPVBC-OAHLLOKOSA-P
XLogP-1.72
TPSA67.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium 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

[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366291
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 9222292
[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9026853
[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9198366
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222615
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
CID 6988242
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
[2-(4-chloroanilino)-2-oxoethyl]-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methylazanium
CID 8815524
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 2448759
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 11933678
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 9222635) is [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is CC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is OHVADOKMDGPVBC-OAHLLOKOSA-P. The full InChI is InChI=1S/C19H30N4O3/c1-5-22-10-12-23(13-11-22)19(25)15(2)21(3)14-18(24)20-16-6-8-17(26-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H,20,24)/p+2/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 364.49 g/mol, XLogP of -1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).