N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C24H25FN4O3 — CID 53130308

IUPACN-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-2-21(30)26-20-5-3-4-18(15-20)23-27-24(32-28-23)17-10-12-29(13-11-17)22(31)14-16-6-8-19(25)9-7-16/h3-9,15,17H,2,10-14H2,1H3,(H,26,30)
InChIKeyVWKHOGHIJGNFSI-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 53130308) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID53130308
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-2-21(30)26-20-5-3-4-18(15-20)23-27-24(32-28-23)17-10-12-29(13-11-17)22(31)14-16-6-8-19(25)9-7-16/h3-9,15,17H,2,10-14H2,1H3,(H,26,30)
InChIKeyVWKHOGHIJGNFSI-UHFFFAOYSA-N
XLogP4.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 53130308) is N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1.
What is the InChIKey of N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is VWKHOGHIJGNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-2-21(30)26-20-5-3-4-18(15-20)23-27-24(32-28-23)17-10-12-29(13-11-17)22(31)14-16-6-8-19(25)9-7-16/h3-9,15,17H,2,10-14H2,1H3,(H,26,30).
What are the key properties of N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 436.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 53130308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).