4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide

C22H21F5N4O3 — CID 134584089

IUPAC4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCC(F)(F)CC2)c2ccccc2)cc1
InChIInChI=1S/C22H21F5N4O3/c23-21(24)10-12-30(13-11-21)20(34)31(17-4-2-1-3-5-17)14-15-6-8-16(9-7-15)18(32)28-29-19(33)22(25,26)27/h1-9H,10-14H2,(H,28,32)(H,29,33)
InChIKeyFBYFUYQOGXXCMA-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.87
Rot. Bonds4

About 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide

4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 134584089) has the molecular formula C22H21F5N4O3 and a molecular weight of 484.43 g/mol. Its IUPAC name is 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID134584089
Molecular FormulaC22H21F5N4O3
Molecular Weight484.43 g/mol
Exact Mass484.15
IUPAC Name4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCC(F)(F)CC2)c2ccccc2)cc1
InChIInChI=1S/C22H21F5N4O3/c23-21(24)10-12-30(13-11-21)20(34)31(17-4-2-1-3-5-17)14-15-6-8-16(9-7-15)18(32)28-29-19(33)22(25,26)27/h1-9H,10-14H2,(H,28,32)(H,29,33)
InChIKeyFBYFUYQOGXXCMA-UHFFFAOYSA-N
XLogP3.87
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide (CID 134584089) is 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide is O=C(NNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCC(F)(F)CC2)c2ccccc2)cc1.
What is the InChIKey of 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is FBYFUYQOGXXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O3/c23-21(24)10-12-30(13-11-21)20(34)31(17-4-2-1-3-5-17)14-15-6-8-16(9-7-15)18(32)28-29-19(33)22(25,26)27/h1-9H,10-14H2,(H,28,32)(H,29,33).
What are the key properties of 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide?
4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 134584089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).