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

C22H23N3O2 — CID 25093468

IUPAC[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N4CCCCC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-15-6-7-19(21-24-23-16(2)27-21)14-20(15)17-8-10-18(11-9-17)22(26)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyAOBVNVRAFXWMAQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.65
Rot. Bonds3

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

[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 25093468) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
PubChem CID25093468
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N4CCCCC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-15-6-7-19(21-24-23-16(2)27-21)14-20(15)17-8-10-18(11-9-17)22(26)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyAOBVNVRAFXWMAQ-UHFFFAOYSA-N
XLogP4.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone (CID 25093468) is [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N4CCCCC4)cc3)c2)o1.
What is the InChIKey of [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is AOBVNVRAFXWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-7-19(21-24-23-16(2)27-21)14-20(15)17-8-10-18(11-9-17)22(26)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13H2,1-2H3.
What are the key properties of [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone?
[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25093468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).