(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide

C24H21F3N2O3 — CID 34568931

IUPAC(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)18-8-4-6-16(14-18)20-11-12-21(32-20)23(31)29-13-5-7-17(15-29)22(30)28-19-9-2-1-3-10-19/h1-4,6,8-12,14,17H,5,7,13,15H2,(H,28,30)/t17-/m1/s1
InChIKeyQEPUGEQXCPUPIX-QGZVFWFLSA-N
MW442.44 g/mol
LogP5.46
Rot. Bonds4

About (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide

(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide (PubChem CID 34568931) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
PubChem CID34568931
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)18-8-4-6-16(14-18)20-11-12-21(32-20)23(31)29-13-5-7-17(15-29)22(30)28-19-9-2-1-3-10-19/h1-4,6,8-12,14,17H,5,7,13,15H2,(H,28,30)/t17-/m1/s1
InChIKeyQEPUGEQXCPUPIX-QGZVFWFLSA-N
XLogP5.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 55486154
(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 95247853
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide (CID 34568931) is (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1.
What is the InChIKey of (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is QEPUGEQXCPUPIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)18-8-4-6-16(14-18)20-11-12-21(32-20)23(31)29-13-5-7-17(15-29)22(30)28-19-9-2-1-3-10-19/h1-4,6,8-12,14,17H,5,7,13,15H2,(H,28,30)/t17-/m1/s1.
What are the key properties of (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
(3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 34568931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).