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

C15H21N5O2 — CID 94526814

IUPAC1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C15H21N5O2/c1-11-8-16-20(9-11)7-5-14(21)19-6-3-4-13(10-19)15-17-12(2)18-22-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyIIBYISUGORJDKV-CYBMUJFWSA-N
MW303.37 g/mol
LogP1.68
Rot. Bonds4

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

1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 94526814) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID94526814
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C15H21N5O2/c1-11-8-16-20(9-11)7-5-14(21)19-6-3-4-13(10-19)15-17-12(2)18-22-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyIIBYISUGORJDKV-CYBMUJFWSA-N
XLogP1.68
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 94526814) is 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1.
What is the InChIKey of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is IIBYISUGORJDKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-8-16-20(9-11)7-5-14(21)19-6-3-4-13(10-19)15-17-12(2)18-22-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 94526814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).