4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

C22H24F3N3O2 — CID 134047330

IUPAC4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-27(15-17-7-5-6-10-19(17)22(23,24)25)20(29)16-11-13-28(14-12-16)21(30)26-18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,26,30)
InChIKeyFOHJSUZYUDOGNC-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.61
Rot. Bonds4

About 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (PubChem CID 134047330) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
PubChem CID134047330
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-27(15-17-7-5-6-10-19(17)22(23,24)25)20(29)16-11-13-28(14-12-16)21(30)26-18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,26,30)
InChIKeyFOHJSUZYUDOGNC-UHFFFAOYSA-N
XLogP4.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17398989
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047271
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxamide
CID 155958739
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
N-(2-anilino-2-oxoethyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46418466
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55550553
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 126804910

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (CID 134047330) is 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The InChIKey is FOHJSUZYUDOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-27(15-17-7-5-6-10-19(17)22(23,24)25)20(29)16-11-13-28(14-12-16)21(30)26-18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,26,30).
What are the key properties of 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 134047330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).