N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C23H24F4N2O3 — CID 55962463

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H24F4N2O3/c24-18-9-8-16(20(13-18)23(25,26)27)14-28-22(31)17-5-4-11-29(15-17)21(30)10-12-32-19-6-2-1-3-7-19/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,28,31)
InChIKeySUTLOPCLUGQBLS-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.17
Rot. Bonds7

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55962463) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55962463
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H24F4N2O3/c24-18-9-8-16(20(13-18)23(25,26)27)14-28-22(31)17-5-4-11-29(15-17)21(30)10-12-32-19-6-2-1-3-7-19/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,28,31)
InChIKeySUTLOPCLUGQBLS-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60621219
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965005
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
(3R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956670
(3S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956669
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55962463) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is SUTLOPCLUGQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c24-18-9-8-16(20(13-18)23(25,26)27)14-28-22(31)17-5-4-11-29(15-17)21(30)10-12-32-19-6-2-1-3-7-19/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,28,31).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 452.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55962463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).