N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide

C19H15F5N2O2 — CID 113008965

IUPACN-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C19H15F5N2O2/c20-12-5-4-11(15(23)16(12)24)19(28)26-8-6-10(7-9-26)18(27)25-17-13(21)2-1-3-14(17)22/h1-5,10H,6-9H2,(H,25,27)
InChIKeyPMBNYJFGVYSRAU-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.87
Rot. Bonds3

About N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide

N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113008965) has the molecular formula C19H15F5N2O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
PubChem CID113008965
Molecular FormulaC19H15F5N2O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC NameN-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C19H15F5N2O2/c20-12-5-4-11(15(23)16(12)24)19(28)26-8-6-10(7-9-26)18(27)25-17-13(21)2-1-3-14(17)22/h1-5,10H,6-9H2,(H,25,27)
InChIKeyPMBNYJFGVYSRAU-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide (CID 113008965) is N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PMBNYJFGVYSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O2/c20-12-5-4-11(15(23)16(12)24)19(28)26-8-6-10(7-9-26)18(27)25-17-13(21)2-1-3-14(17)22/h1-5,10H,6-9H2,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).