4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide

C24H21FN4O2 — CID 121114479

IUPAC4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C24H21FN4O2/c25-19-10-8-17(9-11-19)22-27-28-23(31-22)18-12-14-29(15-13-18)24(30)26-21-7-3-5-16-4-1-2-6-20(16)21/h1-11,18H,12-15H2,(H,26,30)
InChIKeyKMRJEJZULXBMOI-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.44
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide

4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 121114479) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID121114479
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C24H21FN4O2/c25-19-10-8-17(9-11-19)22-27-28-23(31-22)18-12-14-29(15-13-18)24(30)26-21-7-3-5-16-4-1-2-6-20(16)21/h1-11,18H,12-15H2,(H,26,30)
InChIKeyKMRJEJZULXBMOI-UHFFFAOYSA-N
XLogP5.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90543437
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114507
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069742
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 99930914
(E)-3-(2-chlorophenyl)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 56763911
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 59594508
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 121114479) is 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is KMRJEJZULXBMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-10-8-17(9-11-19)22-27-28-23(31-22)18-12-14-29(15-13-18)24(30)26-21-7-3-5-16-4-1-2-6-20(16)21/h1-11,18H,12-15H2,(H,26,30).
What are the key properties of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 121114479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).