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

C18H27N5O2 — CID 51984861

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-4-5-16-19-18(25-21-16)15-6-9-22(10-7-15)17(24)8-11-23-14(3)12-13(2)20-23/h12,15H,4-11H2,1-3H3
InChIKeyQNPNYMZJCYQFSI-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.63
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 51984861) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID51984861
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-4-5-16-19-18(25-21-16)15-6-9-22(10-7-15)17(24)8-11-23-14(3)12-13(2)20-23/h12,15H,4-11H2,1-3H3
InChIKeyQNPNYMZJCYQFSI-UHFFFAOYSA-N
XLogP2.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 51984861) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CCCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QNPNYMZJCYQFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-5-16-19-18(25-21-16)15-6-9-22(10-7-15)17(24)8-11-23-14(3)12-13(2)20-23/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).