[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

C19H30N3O3+ — CID 8554689

IUPAC[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCC[C@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C19H29N3O3/c1-4-16-9-5-6-11-22(16)19(24)14-21(2)13-18(23)20-15-8-7-10-17(12-15)25-3/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyDXHCLSYEQNNHCN-INIZCTEOSA-O
MW348.47 g/mol
LogP0.94
Rot. Bonds7

About [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8554689) has the molecular formula C19H30N3O3+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8554689
Molecular FormulaC19H30N3O3+
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCC[C@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C19H29N3O3/c1-4-16-9-5-6-11-22(16)19(24)14-21(2)13-18(23)20-15-8-7-10-17(12-15)25-3/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyDXHCLSYEQNNHCN-INIZCTEOSA-O
XLogP0.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011
[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8842566
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8790340
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
2-[2-(aminomethyl)azepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 116640393
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (CID 8554689) is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is CC[C@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DXHCLSYEQNNHCN-INIZCTEOSA-O. The full InChI is InChI=1S/C19H29N3O3/c1-4-16-9-5-6-11-22(16)19(24)14-21(2)13-18(23)20-15-8-7-10-17(12-15)25-3/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1.
What are the key properties of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 348.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).