(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone

C25H33N5O2 — CID 46090538

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone
SMILESCc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4CC(C)CC(C)C4)c3)n2)o1
InChIInChI=1S/C25H33N5O2/c1-16(2)9-10-22-13-23(24-27-26-19(5)32-24)28-30(22)21-8-6-7-20(12-21)25(31)29-14-17(3)11-18(4)15-29/h6-8,12-13,16-18H,9-11,14-15H2,1-5H3
InChIKeySUYHHJOFOYXIEO-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.94
Rot. Bonds6

About (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone

(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone (PubChem CID 46090538) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone
PubChem CID46090538
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone
SMILESCc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4CC(C)CC(C)C4)c3)n2)o1
InChIInChI=1S/C25H33N5O2/c1-16(2)9-10-22-13-23(24-27-26-19(5)32-24)28-30(22)21-8-6-7-20(12-21)25(31)29-14-17(3)11-18(4)15-29/h6-8,12-13,16-18H,9-11,14-15H2,1-5H3
InChIKeySUYHHJOFOYXIEO-UHFFFAOYSA-N
XLogP4.94
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone (CID 46090538) is (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone is Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4CC(C)CC(C)C4)c3)n2)o1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone?
The InChIKey is SUYHHJOFOYXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16(2)9-10-22-13-23(24-27-26-19(5)32-24)28-30(22)21-8-6-7-20(12-21)25(31)29-14-17(3)11-18(4)15-29/h6-8,12-13,16-18H,9-11,14-15H2,1-5H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone has a molecular weight of 435.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]methanone is sourced from PubChem (CID 46090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).