N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide

C24H22ClF3N4O3 — CID 130292248

IUPACN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide
SMILESCn1cc(C(=O)N2CCCCC2C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C24H22ClF3N4O3/c1-31-14-15(13-29-31)23(34)32-11-5-4-7-20(32)22(33)30-16-9-10-17(19(25)12-16)18-6-2-3-8-21(18)35-24(26,27)28/h2-3,6,8-10,12-14,20H,4-5,7,11H2,1H3,(H,30,33)
InChIKeySOBPPXUFUHMREZ-UHFFFAOYSA-N
MW506.91 g/mol
LogP5.27
Rot. Bonds5

About N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide

N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide (PubChem CID 130292248) has the molecular formula C24H22ClF3N4O3 and a molecular weight of 506.91 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide
PubChem CID130292248
Molecular FormulaC24H22ClF3N4O3
Molecular Weight506.91 g/mol
Exact Mass506.13
IUPAC NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide
SMILESCn1cc(C(=O)N2CCCCC2C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C24H22ClF3N4O3/c1-31-14-15(13-29-31)23(34)32-11-5-4-7-20(32)22(33)30-16-9-10-17(19(25)12-16)18-6-2-3-8-21(18)35-24(26,27)28/h2-3,6,8-10,12-14,20H,4-5,7,11H2,1H3,(H,30,33)
InChIKeySOBPPXUFUHMREZ-UHFFFAOYSA-N
XLogP5.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
tert-butyl (2R)-2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 130292493
[2-[2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamic acid
CID 135389516
(2R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-[3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoyl]piperidine-2-carboxamide
CID 162611326
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-hydroxy-3-methylsulfanylpropyl)piperidine-2-carboxamide
CID 137454143
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
CID 135389535
1-[(2R)-2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]anilino]oxymethyl]piperidin-1-yl]-2-(1,2,4-triazol-4-yl)ethanone
CID 130292580
(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
CID 157218619
1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86967980
(2R)-N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-4-carbonyl)piperidine-2-carboxamide
CID 42096212
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide (CID 130292248) is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide is Cn1cc(C(=O)N2CCCCC2C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cn1.
What is the InChIKey of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is SOBPPXUFUHMREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O3/c1-31-14-15(13-29-31)23(34)32-11-5-4-7-20(32)22(33)30-16-9-10-17(19(25)12-16)18-6-2-3-8-21(18)35-24(26,27)28/h2-3,6,8-10,12-14,20H,4-5,7,11H2,1H3,(H,30,33).
What are the key properties of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide?
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 506.91 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 130292248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).