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

C18H23FN4O4 — CID 91909865

IUPACN-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)no1
InChIInChI=1S/C18H23FN4O4/c1-25-10-11-26-12-16-21-17(22-27-16)13-6-8-23(9-7-13)18(24)20-15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,24)
InChIKeyVUNKLUKABBCNAH-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.78
Rot. Bonds7

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

N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91909865) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91909865
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)no1
InChIInChI=1S/C18H23FN4O4/c1-25-10-11-26-12-16-21-17(22-27-16)13-6-8-23(9-7-13)18(24)20-15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,24)
InChIKeyVUNKLUKABBCNAH-UHFFFAOYSA-N
XLogP2.78
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.78
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-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91909865) is N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCCOCc1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)no1.
What is the InChIKey of N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is VUNKLUKABBCNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-25-10-11-26-12-16-21-17(22-27-16)13-6-8-23(9-7-13)18(24)20-15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91909865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).