N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C22H32F3N3O2 — CID 18155853

IUPACN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H32F3N3O2/c1-6-27(7-2)18-9-8-16(22(23,24)25)14-17(18)26-19(29)15-10-12-28(13-11-15)20(30)21(3,4)5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,29)
InChIKeyNVMAMTWQJSWFJJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 18155853) has the molecular formula C22H32F3N3O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID18155853
Molecular FormulaC22H32F3N3O2
Molecular Weight427.51 g/mol
Exact Mass427.24
IUPAC NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H32F3N3O2/c1-6-27(7-2)18-9-8-16(22(23,24)25)14-17(18)26-19(29)15-10-12-28(13-11-15)20(30)21(3,4)5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,29)
InChIKeyNVMAMTWQJSWFJJ-UHFFFAOYSA-N
XLogP4.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
1-(2,2-dimethylpropanoyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 33228480
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 18155853) is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is NVMAMTWQJSWFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O2/c1-6-27(7-2)18-9-8-16(22(23,24)25)14-17(18)26-19(29)15-10-12-28(13-11-15)20(30)21(3,4)5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 18155853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).