N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C17H21FN4O2 — CID 118766324

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN4O2/c1-12-16(21-24-20-12)10-17(23)19-14-6-8-22(9-7-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-11H2,1H3,(H,19,23)
InChIKeyIUXFYAWHJSVOEF-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.84
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 118766324) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID118766324
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN4O2/c1-12-16(21-24-20-12)10-17(23)19-14-6-8-22(9-7-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-11H2,1H3,(H,19,23)
InChIKeyIUXFYAWHJSVOEF-UHFFFAOYSA-N
XLogP1.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 118766324) is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is IUXFYAWHJSVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-16(21-24-20-12)10-17(23)19-14-6-8-22(9-7-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-11H2,1H3,(H,19,23).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 118766324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).