5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H24N6O2 — CID 71927115

IUPAC5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)15-21-20-13(24-15)9-22-6-4-5-10(8-22)11-7-12(14(17)23)19-18-11/h7,10H,4-6,8-9H2,1-3H3,(H2,17,23)(H,18,19)
InChIKeyFQTKSCFJHGPDJF-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.57
Rot. Bonds4

About 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927115) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927115
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)15-21-20-13(24-15)9-22-6-4-5-10(8-22)11-7-12(14(17)23)19-18-11/h7,10H,4-6,8-9H2,1-3H3,(H2,17,23)(H,18,19)
InChIKeyFQTKSCFJHGPDJF-UHFFFAOYSA-N
XLogP1.57
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927115) is 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1.
What is the InChIKey of 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is FQTKSCFJHGPDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)15-21-20-13(24-15)9-22-6-4-5-10(8-22)11-7-12(14(17)23)19-18-11/h7,10H,4-6,8-9H2,1-3H3,(H2,17,23)(H,18,19).
What are the key properties of 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).