6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile

C21H16F3N5O2 — CID 53327812

IUPAC6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)nc1
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)20-27-18(28-31-20)15-2-1-3-16(10-15)19(30)29-8-6-14(7-9-29)17-5-4-13(11-25)12-26-17/h1-5,10,12,14H,6-9H2
InChIKeyRZQOBSBNLNRWAW-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.04
Rot. Bonds3

About 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile

6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile (PubChem CID 53327812) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile
PubChem CID53327812
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)nc1
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)20-27-18(28-31-20)15-2-1-3-16(10-15)19(30)29-8-6-14(7-9-29)17-5-4-13(11-25)12-26-17/h1-5,10,12,14H,6-9H2
InChIKeyRZQOBSBNLNRWAW-UHFFFAOYSA-N
XLogP4.04
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile (CID 53327812) is 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile is N#Cc1ccc(C2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)nc1.
What is the InChIKey of 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is RZQOBSBNLNRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c22-21(23,24)20-27-18(28-31-20)15-2-1-3-16(10-15)19(30)29-8-6-14(7-9-29)17-5-4-13(11-25)12-26-17/h1-5,10,12,14H,6-9H2.
What are the key properties of 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile?
6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 427.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 53327812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).