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

C18H22F2N4O4 — CID 91909900

IUPACN-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C18H22F2N4O4/c1-26-8-9-27-11-16-22-17(23-28-16)15-4-2-3-7-24(15)18(25)21-14-6-5-12(19)10-13(14)20/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,21,25)
InChIKeyPDXVTTGVGNUZNS-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.27
Rot. Bonds7

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

N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91909900) has the molecular formula C18H22F2N4O4 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91909900
Molecular FormulaC18H22F2N4O4
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC NameN-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C18H22F2N4O4/c1-26-8-9-27-11-16-22-17(23-28-16)15-4-2-3-7-24(15)18(25)21-14-6-5-12(19)10-13(14)20/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,21,25)
InChIKeyPDXVTTGVGNUZNS-UHFFFAOYSA-N
XLogP3.27
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91909900) is N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)Nc2ccc(F)cc2F)no1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is PDXVTTGVGNUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O4/c1-26-8-9-27-11-16-22-17(23-28-16)15-4-2-3-7-24(15)18(25)21-14-6-5-12(19)10-13(14)20/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,21,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91909900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).