3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

C22H26N4O — CID 120774488

IUPAC3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(C(c2ccccc2)c2nc(-c3ccccc3)no2)CCC1N
InChIInChI=1S/C22H26N4O/c1-22(2)15-26(14-13-18(22)23)19(16-9-5-3-6-10-16)21-24-20(25-27-21)17-11-7-4-8-12-17/h3-12,18-19H,13-15,23H2,1-2H3
InChIKeyHHMREGJZOPODBC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.89
Rot. Bonds4

About 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 120774488) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID120774488
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(C(c2ccccc2)c2nc(-c3ccccc3)no2)CCC1N
InChIInChI=1S/C22H26N4O/c1-22(2)15-26(14-13-18(22)23)19(16-9-5-3-6-10-16)21-24-20(25-27-21)17-11-7-4-8-12-17/h3-12,18-19H,13-15,23H2,1-2H3
InChIKeyHHMREGJZOPODBC-UHFFFAOYSA-N
XLogP3.89
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 120774488) is 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is CC1(C)CN(C(c2ccccc2)c2nc(-c3ccccc3)no2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is HHMREGJZOPODBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2)15-26(14-13-18(22)23)19(16-9-5-3-6-10-16)21-24-20(25-27-21)17-11-7-4-8-12-17/h3-12,18-19H,13-15,23H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120774488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).