N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

C19H25FN4O5 — CID 91920674

IUPACN-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(OC)c(F)c2)no1
InChIInChI=1S/C19H25FN4O5/c1-26-9-10-28-12-17-22-18(23-29-17)15-5-3-4-8-24(15)19(25)21-13-6-7-16(27-2)14(20)11-13/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H,21,25)
InChIKeyGGAUBUAZRZZUPX-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.14
Rot. Bonds8

About N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91920674) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91920674
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(OC)c(F)c2)no1
InChIInChI=1S/C19H25FN4O5/c1-26-9-10-28-12-17-22-18(23-29-17)15-5-3-4-8-24(15)19(25)21-13-6-7-16(27-2)14(20)11-13/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H,21,25)
InChIKeyGGAUBUAZRZZUPX-UHFFFAOYSA-N
XLogP3.14
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91920674) is N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(OC)c(F)c2)no1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is GGAUBUAZRZZUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-26-9-10-28-12-17-22-18(23-29-17)15-5-3-4-8-24(15)19(25)21-13-6-7-16(27-2)14(20)11-13/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91920674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).