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

C16H23N5O2 — CID 51984840

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-11-10-12(2)21(18-11)9-6-15(22)20-7-4-14(5-8-20)16-17-13(3)19-23-16/h10,14H,4-9H2,1-3H3
InChIKeyLPKMQDFVIPEIQD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.99
Rot. Bonds4

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

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 51984840) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID51984840
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-11-10-12(2)21(18-11)9-6-15(22)20-7-4-14(5-8-20)16-17-13(3)19-23-16/h10,14H,4-9H2,1-3H3
InChIKeyLPKMQDFVIPEIQD-UHFFFAOYSA-N
XLogP1.99
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.99
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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 51984840) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCC(c3nc(C)no3)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LPKMQDFVIPEIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-10-12(2)21(18-11)9-6-15(22)20-7-4-14(5-8-20)16-17-13(3)19-23-16/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 1.99, 4 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-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51984840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).