1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C18H26N6O2 — CID 122566587

About 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 122566587) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 122566587
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: CC(NC(=O)N(C)Cc1nc(-c2ccncc2)no1)C1CCN(C)CC1
• InChI: InChI=1S/C18H26N6O2/c1-13(14-6-10-23(2)11-7-14)20-18(25)24(3)12-16-21-17(22-26-16)15-4-8-19-9-5-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,20,25)
• InChIKey: WSVYZEGMIKYXSK-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The IUPAC name of 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 122566587) is 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The canonical SMILES for 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is CC(NC(=O)N(C)Cc1nc(-c2ccncc2)no1)C1CCN(C)CC1.

What is the InChIKey of 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The InChIKey is WSVYZEGMIKYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(14-6-10-23(2)11-7-14)20-18(25)24(3)12-16-21-17(22-26-16)15-4-8-19-9-5-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,20,25).

What are the key properties of 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 358.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 122566587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).