(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone

C22H26F3N5O3 — CID 58002726

IUPAC(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESNC1CCN(C(=O)N2CC(c3ccc(OC(F)(F)F)cc3)CC(c3nc(C4CC4)no3)C2)C1
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)32-18-5-3-13(4-6-18)15-9-16(20-27-19(28-33-20)14-1-2-14)11-30(10-15)21(31)29-8-7-17(26)12-29/h3-6,14-17H,1-2,7-12,26H2
InChIKeyRUZGIXKAICKXQX-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.57
Rot. Bonds4

About (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone

(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (PubChem CID 58002726) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
PubChem CID58002726
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC Name(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESNC1CCN(C(=O)N2CC(c3ccc(OC(F)(F)F)cc3)CC(c3nc(C4CC4)no3)C2)C1
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)32-18-5-3-13(4-6-18)15-9-16(20-27-19(28-33-20)14-1-2-14)11-30(10-15)21(31)29-8-7-17(26)12-29/h3-6,14-17H,1-2,7-12,26H2
InChIKeyRUZGIXKAICKXQX-UHFFFAOYSA-N
XLogP3.57
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (CID 58002726) is (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is NC1CCN(C(=O)N2CC(c3ccc(OC(F)(F)F)cc3)CC(c3nc(C4CC4)no3)C2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The InChIKey is RUZGIXKAICKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c23-22(24,25)32-18-5-3-13(4-6-18)15-9-16(20-27-19(28-33-20)14-1-2-14)11-30(10-15)21(31)29-8-7-17(26)12-29/h3-6,14-17H,1-2,7-12,26H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
(3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone has a molecular weight of 465.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58002726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).