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

C23H25FN4O2 — CID 3236345

IUPACN-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)11-10-21(29)25-18-12-14-28(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,25,29)
InChIKeyJYQCEJOPNNITLN-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.59
Rot. Bonds7

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

N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3236345) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3236345
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)11-10-21(29)25-18-12-14-28(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,25,29)
InChIKeyJYQCEJOPNNITLN-UHFFFAOYSA-N
XLogP3.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9266827
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-phenylcyclopropyl)-4-(3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45269104
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
(2S,3S)-2-amino-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645689
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645690
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645692

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3236345) is N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JYQCEJOPNNITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)11-10-21(29)25-18-12-14-28(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 408.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3236345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).