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

C19H25FN4O4 — CID 91909901

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C19H25FN4O4/c1-26-10-11-27-13-17-22-18(23-28-17)16-4-2-3-9-24(16)19(25)21-12-14-5-7-15(20)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyBZAIYUQKEQHOPZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.81
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91909901) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91909901
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C19H25FN4O4/c1-26-10-11-27-13-17-22-18(23-28-17)16-4-2-3-9-24(16)19(25)21-12-14-5-7-15(20)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyBZAIYUQKEQHOPZ-UHFFFAOYSA-N
XLogP2.81
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.81
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-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91909901) is N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)NCc2ccc(F)cc2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is BZAIYUQKEQHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-26-10-11-27-13-17-22-18(23-28-17)16-4-2-3-9-24(16)19(25)21-12-14-5-7-15(20)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91909901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).