N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

C20H28F3N3O2 — CID 86984105

IUPACN-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-3-4-11-24-19(28)15-9-12-26(13-10-15)14(2)18(27)25-17-7-5-16(6-8-17)20(21,22)23/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYZWIQJZJWRGZHU-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.66
Rot. Bonds7

About N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 86984105) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
PubChem CID86984105
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC NameN-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-3-4-11-24-19(28)15-9-12-26(13-10-15)14(2)18(27)25-17-7-5-16(6-8-17)20(21,22)23/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYZWIQJZJWRGZHU-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 55839186
N-butyl-1-[(2S)-1-(3,4-dichloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 37211402
1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
CID 51112690
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 86984110
N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86984103
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
ethyl (3S)-1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-3-carboxylate
CID 98764431
N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55842591
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide (CID 86984105) is N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide?
The InChIKey is YZWIQJZJWRGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-3-4-11-24-19(28)15-9-12-26(13-10-15)14(2)18(27)25-17-7-5-16(6-8-17)20(21,22)23/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide?
N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86984105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).