N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C17H19F3N4O4 — CID 90540277

IUPACN-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1OC
InChIInChI=1S/C17H19F3N4O4/c1-26-12-7-3-6-11(13(12)27-2)21-16(25)24-8-4-5-10(9-24)14-22-23-15(28-14)17(18,19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,21,25)
InChIKeyLZCMPTMWWQSNIO-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.52
Rot. Bonds4

About N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540277) has the molecular formula C17H19F3N4O4 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540277
Molecular FormulaC17H19F3N4O4
Molecular Weight400.36 g/mol
Exact Mass400.14
IUPAC NameN-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1OC
InChIInChI=1S/C17H19F3N4O4/c1-26-12-7-3-6-11(13(12)27-2)21-16(25)24-8-4-5-10(9-24)14-22-23-15(28-14)17(18,19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,21,25)
InChIKeyLZCMPTMWWQSNIO-UHFFFAOYSA-N
XLogP3.52
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide 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

N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540009
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114744
N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267734
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
2-phenoxy-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793046
2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 90540157
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540277) is N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is LZCMPTMWWQSNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4/c1-26-12-7-3-6-11(13(12)27-2)21-16(25)24-8-4-5-10(9-24)14-22-23-15(28-14)17(18,19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,21,25).
What are the key properties of N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).