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

C23H26F3N3O2 — CID 53070861

IUPAC4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-16-7-9-17(10-8-16)15-27-20(30)22(2)11-13-29(14-12-22)21(31)28-19-6-4-3-5-18(19)23(24,25)26/h3-10H,11-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXMRGHKJHTRQLAP-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.96
Rot. Bonds4

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

4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 53070861) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
PubChem CID53070861
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-16-7-9-17(10-8-16)15-27-20(30)22(2)11-13-29(14-12-22)21(31)28-19-6-4-3-5-18(19)23(24,25)26/h3-10H,11-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXMRGHKJHTRQLAP-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 53070862
3-benzyl-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 27558311
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
3-ethylsulfanyl-2-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
CID 71843716
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
(3S)-1-N-(3-chloro-2-methylphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide (CID 53070861) is 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide is Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is XMRGHKJHTRQLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-16-7-9-17(10-8-16)15-27-20(30)22(2)11-13-29(14-12-22)21(31)28-19-6-4-3-5-18(19)23(24,25)26/h3-10H,11-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 53070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).