N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H24N4O3S — CID 120889609

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 120889609) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 120889609
• Molecular Formula: C17H24N4O3S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.16
• IUPAC Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: COCC1(CNC(=O)CCc2nc(-c3cccs3)no2)CCNCC1
• InChI: InChI=1S/C17H24N4O3S/c1-23-12-17(6-8-18-9-7-17)11-19-14(22)4-5-15-20-16(21-24-15)13-3-2-10-25-13/h2-3,10,18H,4-9,11-12H2,1H3,(H,19,22)
• InChIKey: LOJBEOQZFOEFCS-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 120889609) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COCC1(CNC(=O)CCc2nc(-c3cccs3)no2)CCNCC1.

What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is LOJBEOQZFOEFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-23-12-17(6-8-18-9-7-17)11-19-14(22)4-5-15-20-16(21-24-15)13-3-2-10-25-13/h2-3,10,18H,4-9,11-12H2,1H3,(H,19,22).

What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 120889609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).