N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C21H30N6O2 — CID 56860991

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56860991) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 56860991
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: Cc1nnc(CNC(=O)C2CCCN(C3CCN(Cc4cccnc4)CC3)C2)o1
• InChI: InChI=1S/C21H30N6O2/c1-16-24-25-20(29-16)13-23-21(28)18-5-3-9-27(15-18)19-6-10-26(11-7-19)14-17-4-2-8-22-12-17/h2,4,8,12,18-19H,3,5-7,9-11,13-15H2,1H3,(H,23,28)
• InChIKey: DZBWRAJTTZVYKR-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56860991) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1nnc(CNC(=O)C2CCCN(C3CCN(Cc4cccnc4)CC3)C2)o1.

What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is DZBWRAJTTZVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16-24-25-20(29-16)13-23-21(28)18-5-3-9-27(15-18)19-6-10-26(11-7-19)14-17-4-2-8-22-12-17/h2,4,8,12,18-19H,3,5-7,9-11,13-15H2,1H3,(H,23,28).

What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56860991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).