N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide

C17H25N5O3 — CID 95342775

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide (PubChem CID 95342775) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide
• PubChem CID: 95342775
• Molecular Formula: C17H25N5O3
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.20
• IUPAC Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide
• SMILES: Cc1nc(CN2CCC[C@H](NCC(=O)N[C@@H](C)c3ccco3)C2)no1
• InChI: InChI=1S/C17H25N5O3/c1-12(15-6-4-8-24-15)19-17(23)9-18-14-5-3-7-22(10-14)11-16-20-13(2)25-21-16/h4,6,8,12,14,18H,3,5,7,9-11H2,1-2H3,(H,19,23)/t12-,14-/m0/s1
• InChIKey: PTFQAYXHBCNYCC-JSGCOSHPSA-N
• XLogP: 1.40
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide?

The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide (CID 95342775) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide.

What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide?

The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide is Cc1nc(CN2CCC[C@H](NCC(=O)N[C@@H](C)c3ccco3)C2)no1.

What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide?

The InChIKey is PTFQAYXHBCNYCC-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(15-6-4-8-24-15)19-17(23)9-18-14-5-3-7-22(10-14)11-16-20-13(2)25-21-16/h4,6,8,12,14,18H,3,5,7,9-11H2,1-2H3,(H,19,23)/t12-,14-/m0/s1.

What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide?

N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide is sourced from PubChem (CID 95342775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).