N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H29ClF3N3O2 — CID 119682089

IUPACN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H28F3N3O2.ClH/c1-3-26(19(28)12-14(2)15-8-10-24-11-9-15)13-18(27)25-17-7-5-4-6-16(17)20(21,22)23;/h4-7,14-15,24H,3,8-13H2,1-2H3,(H,25,27);1H
InChIKeyZRBJHOCGINXTJM-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119682089) has the molecular formula C20H29ClF3N3O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119682089
Molecular FormulaC20H29ClF3N3O2
Molecular Weight435.92 g/mol
Exact Mass435.19
IUPAC NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H28F3N3O2.ClH/c1-3-26(19(28)12-14(2)15-8-10-24-11-9-15)13-18(27)25-17-7-5-4-6-16(17)20(21,22)23;/h4-7,14-15,24H,3,8-13H2,1-2H3,(H,25,27);1H
InChIKeyZRBJHOCGINXTJM-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 120617399
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119682089) is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ZRBJHOCGINXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2.ClH/c1-3-26(19(28)12-14(2)15-8-10-24-11-9-15)13-18(27)25-17-7-5-4-6-16(17)20(21,22)23;/h4-7,14-15,24H,3,8-13H2,1-2H3,(H,25,27);1H.
What are the key properties of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 435.92 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119682089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).