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

C17H21N3O2 — CID 72896681

IUPACphenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
SMILESCCCc1nnc(N2CCCC(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C17H21N3O2/c1-2-7-15-18-19-17(22-15)20-11-6-10-14(12-20)16(21)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyMNOJPCOIJUHOMJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds5

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

phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 72896681) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
PubChem CID72896681
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namephenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
SMILESCCCc1nnc(N2CCCC(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C17H21N3O2/c1-2-7-15-18-19-17(22-15)20-11-6-10-14(12-20)16(21)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyMNOJPCOIJUHOMJ-UHFFFAOYSA-N
XLogP3.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
CID 72911811
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
CID 97205446
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72860267
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462
2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
CID 72932562
2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
CID 82470813
[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone
CID 70723601

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone?
The IUPAC name of phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone (CID 72896681) is phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone is CCCc1nnc(N2CCCC(C(=O)c3ccccc3)C2)o1.
What is the InChIKey of phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone?
The InChIKey is MNOJPCOIJUHOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-7-15-18-19-17(22-15)20-11-6-10-14(12-20)16(21)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3.
What are the key properties of phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone?
phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 72896681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).