2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C19H16F3N3O3 — CID 71799043

IUPAC2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-16-5-3-13(4-6-16)18(26)25-10-7-15(8-11-25)27-17-14(12-23)2-1-9-24-17/h1-6,9,15H,7-8,10-11H2
InChIKeyCNBAIJJTUIYXHJ-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799043) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799043
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-16-5-3-13(4-6-16)18(26)25-10-7-15(8-11-25)27-17-14(12-23)2-1-9-24-17/h1-6,9,15H,7-8,10-11H2
InChIKeyCNBAIJJTUIYXHJ-UHFFFAOYSA-N
XLogP3.54
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799043) is 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is CNBAIJJTUIYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)28-16-5-3-13(4-6-16)18(26)25-10-7-15(8-11-25)27-17-14(12-23)2-1-9-24-17/h1-6,9,15H,7-8,10-11H2.
What are the key properties of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 391.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).