[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium

C24H32N3O2+ — CID 8789372

IUPAC[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-3-19-12-8-9-15-21(19)25-22(28)18-26(2)23(20-13-6-4-7-14-20)24(29)27-16-10-5-11-17-27/h4,6-9,12-15,23H,3,5,10-11,16-18H2,1-2H3,(H,25,28)/p+1/t23-/m0/s1
InChIKeyXFHILJKUPHHOLB-QHCPKHFHSA-O
MW394.54 g/mol
LogP2.46
Rot. Bonds7

About [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium

[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium (PubChem CID 8789372) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
PubChem CID8789372
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-3-19-12-8-9-15-21(19)25-22(28)18-26(2)23(20-13-6-4-7-14-20)24(29)27-16-10-5-11-17-27/h4,6-9,12-15,23H,3,5,10-11,16-18H2,1-2H3,(H,25,28)/p+1/t23-/m0/s1
InChIKeyXFHILJKUPHHOLB-QHCPKHFHSA-O
XLogP2.46
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8768496
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
CID 8768184
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
[2-(2-chloroanilino)-2-oxoethyl]-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 9041416
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8552805
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9040030
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium (CID 8789372) is [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium is CCc1ccccc1NC(=O)C[NH+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The InChIKey is XFHILJKUPHHOLB-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H31N3O2/c1-3-19-12-8-9-15-21(19)25-22(28)18-26(2)23(20-13-6-4-7-14-20)24(29)27-16-10-5-11-17-27/h4,6-9,12-15,23H,3,5,10-11,16-18H2,1-2H3,(H,25,28)/p+1/t23-/m0/s1.
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium has a molecular weight of 394.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium is sourced from PubChem (CID 8789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).