1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C24H26ClF3N2O2 — CID 126059758

IUPAC1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1
InChIInChI=1S/C24H26ClF3N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(32)30-12-10-15(11-13-30)21(31)29-20-14-18(24(26,27)28)8-9-19(20)25/h4-9,14-15H,10-13H2,1-3H3,(H,29,31)
InChIKeyOWJDWEQXHIJORV-UHFFFAOYSA-N
MW466.93 g/mol
LogP6.15
Rot. Bonds3

About 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 126059758) has the molecular formula C24H26ClF3N2O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID126059758
Molecular FormulaC24H26ClF3N2O2
Molecular Weight466.93 g/mol
Exact Mass466.16
IUPAC Name1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1
InChIInChI=1S/C24H26ClF3N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(32)30-12-10-15(11-13-30)21(31)29-20-14-18(24(26,27)28)8-9-19(20)25/h4-9,14-15H,10-13H2,1-3H3,(H,29,31)
InChIKeyOWJDWEQXHIJORV-UHFFFAOYSA-N
XLogP6.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2200897
N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46543754

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 126059758) is 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OWJDWEQXHIJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(32)30-12-10-15(11-13-30)21(31)29-20-14-18(24(26,27)28)8-9-19(20)25/h4-9,14-15H,10-13H2,1-3H3,(H,29,31).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 126059758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).