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

C18H23N3O2 — CID 50846468

IUPAC2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C18H23N3O2/c1-13(2)18(22)21-10-8-14(9-11-21)12-16-19-20-17(23-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyZOKAEPOTDBZSSH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.17
Rot. Bonds4

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

2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 50846468) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID50846468
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C18H23N3O2/c1-13(2)18(22)21-10-8-14(9-11-21)12-16-19-20-17(23-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyZOKAEPOTDBZSSH-UHFFFAOYSA-N
XLogP3.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one (CID 50846468) is 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is ZOKAEPOTDBZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)18(22)21-10-8-14(9-11-21)12-16-19-20-17(23-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 50846468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).