4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide

C21H26N6O2 — CID 118712651

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(c3nc(Cc4ccccc4)no3)CC2)nn1C
InChIInChI=1S/C21H26N6O2/c1-15-12-18(24-26(15)2)14-22-21(28)27-10-8-17(9-11-27)20-23-19(25-29-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,22,28)
InChIKeyCNHZEVOJLKWUSK-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.79
Rot. Bonds5

About 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 118712651) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID118712651
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(c3nc(Cc4ccccc4)no3)CC2)nn1C
InChIInChI=1S/C21H26N6O2/c1-15-12-18(24-26(15)2)14-22-21(28)27-10-8-17(9-11-27)20-23-19(25-29-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,22,28)
InChIKeyCNHZEVOJLKWUSK-UHFFFAOYSA-N
XLogP2.79
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide (CID 118712651) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC(c3nc(Cc4ccccc4)no3)CC2)nn1C.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CNHZEVOJLKWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-12-18(24-26(15)2)14-22-21(28)27-10-8-17(9-11-27)20-23-19(25-29-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,22,28).
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 118712651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).