1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C17H24N6O2 — CID 75479413

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)15-20-13(25-22-15)11-23-9-5-12(6-10-23)14(24)21-16-18-7-4-8-19-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,18,19,21,24)
InChIKeyDDRYJLAUDKVAHZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.01
Rot. Bonds4

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479413) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479413
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)15-20-13(25-22-15)11-23-9-5-12(6-10-23)14(24)21-16-18-7-4-8-19-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,18,19,21,24)
InChIKeyDDRYJLAUDKVAHZ-UHFFFAOYSA-N
XLogP2.01
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479413) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is CC(C)(C)c1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is DDRYJLAUDKVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)15-20-13(25-22-15)11-23-9-5-12(6-10-23)14(24)21-16-18-7-4-8-19-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,18,19,21,24).
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).