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

C17H21FN4O3 — CID 87053247

IUPACN-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
SMILESCc1noc(COC2CCCN(C(=O)NCc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H21FN4O3/c1-12-20-16(25-21-12)11-24-15-6-3-7-22(10-15)17(23)19-9-13-4-2-5-14(18)8-13/h2,4-5,8,15H,3,6-7,9-11H2,1H3,(H,19,23)
InChIKeyFARHOHUAKTWOAS-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.41
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide (PubChem CID 87053247) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
PubChem CID87053247
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
SMILESCc1noc(COC2CCCN(C(=O)NCc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H21FN4O3/c1-12-20-16(25-21-12)11-24-15-6-3-7-22(10-15)17(23)19-9-13-4-2-5-14(18)8-13/h2,4-5,8,15H,3,6-7,9-11H2,1H3,(H,19,23)
InChIKeyFARHOHUAKTWOAS-UHFFFAOYSA-N
XLogP2.41
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide (CID 87053247) is N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide is Cc1noc(COC2CCCN(C(=O)NCc3cccc(F)c3)C2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
The InChIKey is FARHOHUAKTWOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-12-20-16(25-21-12)11-24-15-6-3-7-22(10-15)17(23)19-9-13-4-2-5-14(18)8-13/h2,4-5,8,15H,3,6-7,9-11H2,1H3,(H,19,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide is sourced from PubChem (CID 87053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).