1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide

C21H21FN4O2 — CID 20944416

IUPAC1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-14(7-9-17)18(26-12-10-15(11-13-26)19(23)27)21-25-24-20(28-21)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,27)
InChIKeyIOHDYEAGVPPJAO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.16
Rot. Bonds5

About 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide

1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 20944416) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID20944416
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-14(7-9-17)18(26-12-10-15(11-13-26)19(23)27)21-25-24-20(28-21)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,27)
InChIKeyIOHDYEAGVPPJAO-UHFFFAOYSA-N
XLogP3.16
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide (CID 20944416) is 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is IOHDYEAGVPPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-8-6-14(7-9-17)18(26-12-10-15(11-13-26)19(23)27)21-25-24-20(28-21)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,27).
What are the key properties of 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).