4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide

C23H27F3N4O3 — CID 58129384

IUPAC4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-15(2)16-3-5-17(6-4-16)28-20(31)22(27)11-13-30(14-12-22)21(32)29-18-7-9-19(10-8-18)33-23(24,25)26/h3-10,15H,11-14,27H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyTUZUFDVJSJGESD-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.67
Rot. Bonds5

About 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide

4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 58129384) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
PubChem CID58129384
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-15(2)16-3-5-17(6-4-16)28-20(31)22(27)11-13-30(14-12-22)21(32)29-18-7-9-19(10-8-18)33-23(24,25)26/h3-10,15H,11-14,27H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyTUZUFDVJSJGESD-UHFFFAOYSA-N
XLogP4.67
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913817
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 66921153
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 66921245

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide (CID 58129384) is 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide is CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is TUZUFDVJSJGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-15(2)16-3-5-17(6-4-16)28-20(31)22(27)11-13-30(14-12-22)21(32)29-18-7-9-19(10-8-18)33-23(24,25)26/h3-10,15H,11-14,27H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide?
4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 464.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 58129384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).