1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C23H24ClF3N2O3 — CID 26175419

IUPAC1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClF3N2O3/c1-2-13-32-20-8-5-17(23(25,26)27)14-19(20)28-21(30)15-9-11-29(12-10-15)22(31)16-3-6-18(24)7-4-16/h3-8,14-15H,2,9-13H2,1H3,(H,28,30)
InChIKeyLCFDOMRLMZNCSS-UHFFFAOYSA-N
MW468.90 g/mol
LogP5.64
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 26175419) has the molecular formula C23H24ClF3N2O3 and a molecular weight of 468.90 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID26175419
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.90 g/mol
Exact Mass468.14
IUPAC Name1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClF3N2O3/c1-2-13-32-20-8-5-17(23(25,26)27)14-19(20)28-21(30)15-9-11-29(12-10-15)22(31)16-3-6-18(24)7-4-16/h3-8,14-15H,2,9-13H2,1H3,(H,28,30)
InChIKeyLCFDOMRLMZNCSS-UHFFFAOYSA-N
XLogP5.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.90
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
1-(2-phenoxyacetyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55630582
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
1-(2,2-dimethylpropanoyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 33228480
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
3-(hydroxymethyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 111442987
1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 26175419) is 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LCFDOMRLMZNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O3/c1-2-13-32-20-8-5-17(23(25,26)27)14-19(20)28-21(30)15-9-11-29(12-10-15)22(31)16-3-6-18(24)7-4-16/h3-8,14-15H,2,9-13H2,1H3,(H,28,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 468.90 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26175419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).