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

C23H30F3N5O4 — CID 58002203

IUPAC(4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1
InChIInChI=1S/C23H30F3N5O4/c1-33-11-8-20-28-21(35-29-20)17-12-16(15-2-4-19(5-3-15)34-23(24,25)26)13-31(14-17)22(32)30-9-6-18(27)7-10-30/h2-5,16-18H,6-14,27H2,1H3
InChIKeyUENAUVZLALVAKO-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.27
Rot. Bonds6

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

(4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (PubChem CID 58002203) has the molecular formula C23H30F3N5O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
PubChem CID58002203
Molecular FormulaC23H30F3N5O4
Molecular Weight497.52 g/mol
Exact Mass497.22
IUPAC Name(4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1
InChIInChI=1S/C23H30F3N5O4/c1-33-11-8-20-28-21(35-29-20)17-12-16(15-2-4-19(5-3-15)34-23(24,25)26)13-31(14-17)22(32)30-9-6-18(27)7-10-30/h2-5,16-18H,6-14,27H2,1H3
InChIKeyUENAUVZLALVAKO-UHFFFAOYSA-N
XLogP3.27
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (CID 58002203) is (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is COCCc1noc(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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The InChIKey is UENAUVZLALVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O4/c1-33-11-8-20-28-21(35-29-20)17-12-16(15-2-4-19(5-3-15)34-23(24,25)26)13-31(14-17)22(32)30-9-6-18(27)7-10-30/h2-5,16-18H,6-14,27H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
(4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone has a molecular weight of 497.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58002203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).