[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium

C18H27ClN3O2+ — CID 8842566

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
SMILESCC[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O2/c1-3-14-8-6-7-11-22(14)18(24)13-21(2)12-17(23)20-16-10-5-4-9-15(16)19/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1
InChIKeyDPAQBURKZKKTFW-CQSZACIVSA-O
MW352.89 g/mol
LogP1.58
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium

[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium (PubChem CID 8842566) has the molecular formula C18H27ClN3O2+ and a molecular weight of 352.89 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
PubChem CID8842566
Molecular FormulaC18H27ClN3O2+
Molecular Weight352.89 g/mol
Exact Mass352.18
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
SMILESCC[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O2/c1-3-14-8-6-7-11-22(14)18(24)13-21(2)12-17(23)20-16-10-5-4-9-15(16)19/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1
InChIKeyDPAQBURKZKKTFW-CQSZACIVSA-O
XLogP1.58
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8790340
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003128
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9036328
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]azanium
CID 8843202
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium (CID 8842566) is [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium is CC[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The InChIKey is DPAQBURKZKKTFW-CQSZACIVSA-O. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-14-8-6-7-11-22(14)18(24)13-21(2)12-17(23)20-16-10-5-4-9-15(16)19/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium has a molecular weight of 352.89 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8842566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).