1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide

C16H15F6N3O3 — CID 108530325

IUPAC1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15F6N3O3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-13(27)14(28)25-3-1-8(2-4-25)12(23)26/h5-8H,1-4H2,(H2,23,26)(H,24,27)
InChIKeyFYNCNRRVGUAOCI-UHFFFAOYSA-N
MW411.30 g/mol
LogP2.39
Rot. Bonds2

About 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108530325) has the molecular formula C16H15F6N3O3 and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108530325
Molecular FormulaC16H15F6N3O3
Molecular Weight411.30 g/mol
Exact Mass411.10
IUPAC Name1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15F6N3O3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-13(27)14(28)25-3-1-8(2-4-25)12(23)26/h5-8H,1-4H2,(H2,23,26)(H,24,27)
InChIKeyFYNCNRRVGUAOCI-UHFFFAOYSA-N
XLogP2.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902219
1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 119159271
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166379719
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
CID 17385988
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 97244489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide (CID 108530325) is 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is FYNCNRRVGUAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-13(27)14(28)25-3-1-8(2-4-25)12(23)26/h5-8H,1-4H2,(H2,23,26)(H,24,27).
What are the key properties of 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108530325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).