N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H29FN4O2 — CID 15998462

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C21H29FN4O2/c1-15-12-16(2)14-26(13-15)11-5-10-23-19(27)8-9-20-24-21(25-28-20)17-6-3-4-7-18(17)22/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,23,27)
InChIKeySQUSEIZJSFIEBD-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.29
Rot. Bonds8

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 15998462) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID15998462
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C21H29FN4O2/c1-15-12-16(2)14-26(13-15)11-5-10-23-19(27)8-9-20-24-21(25-28-20)17-6-3-4-7-18(17)22/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,23,27)
InChIKeySQUSEIZJSFIEBD-UHFFFAOYSA-N
XLogP3.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 15999074
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55742229
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide
CID 122174833
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 92721951
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 146039835
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 15998462) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC1CC(C)CN(CCCNC(=O)CCc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is SQUSEIZJSFIEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-15-12-16(2)14-26(13-15)11-5-10-23-19(27)8-9-20-24-21(25-28-20)17-6-3-4-7-18(17)22/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 15998462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).