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

C21H26F3N5O3 — CID 58002526

IUPAC(4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1
InChIInChI=1S/C21H26F3N5O3/c1-13-26-19(32-27-13)16-10-15(14-2-4-18(5-3-14)31-21(22,23)24)11-29(12-16)20(30)28-8-6-17(25)7-9-28/h2-5,15-17H,6-12,25H2,1H3
InChIKeyUGLZWLPMMYARLL-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.39
Rot. Bonds3

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

(4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (PubChem CID 58002526) has the molecular formula C21H26F3N5O3 and a molecular weight of 453.47 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
PubChem CID58002526
Molecular FormulaC21H26F3N5O3
Molecular Weight453.47 g/mol
Exact Mass453.20
IUPAC Name(4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1
InChIInChI=1S/C21H26F3N5O3/c1-13-26-19(32-27-13)16-10-15(14-2-4-18(5-3-14)31-21(22,23)24)11-29(12-16)20(30)28-8-6-17(25)7-9-28/h2-5,15-17H,6-12,25H2,1H3
InChIKeyUGLZWLPMMYARLL-UHFFFAOYSA-N
XLogP3.39
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (CID 58002526) is (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is Cc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The InChIKey is UGLZWLPMMYARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O3/c1-13-26-19(32-27-13)16-10-15(14-2-4-18(5-3-14)31-21(22,23)24)11-29(12-16)20(30)28-8-6-17(25)7-9-28/h2-5,15-17H,6-12,25H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
(4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone has a molecular weight of 453.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58002526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).