4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide

C18H20F3N5O3 — CID 56724151

IUPAC4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-11-23-15(29-25-11)10-22-16(27)12-6-8-26(9-7-12)17(28)24-14-5-3-2-4-13(14)18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,27)(H,24,28)
InChIKeyMVIOBAOZNYHONM-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.96
Rot. Bonds4

About 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide

4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 56724151) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
PubChem CID56724151
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-11-23-15(29-25-11)10-22-16(27)12-6-8-26(9-7-12)17(28)24-14-5-3-2-4-13(14)18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,27)(H,24,28)
InChIKeyMVIOBAOZNYHONM-UHFFFAOYSA-N
XLogP2.96
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(2,3-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602146
1-N-(4-chlorophenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602133
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602270
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602237
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 90602180
1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide (CID 56724151) is 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is MVIOBAOZNYHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-11-23-15(29-25-11)10-22-16(27)12-6-8-26(9-7-12)17(28)24-14-5-3-2-4-13(14)18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide?
4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 411.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56724151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).