(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide

C18H22N6O2 — CID 125444272

About (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide

(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 125444272) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 125444272
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
• SMILES: Cc1nc(CNC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)no1
• InChI: InChI=1S/C18H22N6O2/c1-12-20-17(23-26-12)10-19-18(25)24-8-4-5-13(11-24)9-16-21-14-6-2-3-7-15(14)22-16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,19,25)(H,21,22)/t13-/m1/s1
• InChIKey: QUJMOAFBBUSETC-CYBMUJFWSA-N
• XLogP: 2.42
• TPSA: 99.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (CID 125444272) is (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)no1.

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

The InChIKey is QUJMOAFBBUSETC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-12-20-17(23-26-12)10-19-18(25)24-8-4-5-13(11-24)9-16-21-14-6-2-3-7-15(14)22-16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,19,25)(H,21,22)/t13-/m1/s1.

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

(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).