N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide

C20H24F2N4O3 — CID 42095240

About N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 42095240) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
• PubChem CID: 42095240
• Molecular Formula: C20H24F2N4O3
• Molecular Weight: 406.43 g/mol
• Exact Mass: 406.18
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
• SMILES: Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1
• InChI: InChI=1S/C20H24F2N4O3/c1-13-18(25-29-24-13)10-20(28)26-8-2-3-14(12-26)5-7-19(27)23-11-15-4-6-16(21)17(22)9-15/h4,6,9,14H,2-3,5,7-8,10-12H2,1H3,(H,23,27)/t14-/m0/s1
• InChIKey: MTLGDRNTLPPLMM-AWEZNQCLSA-N
• XLogP: 2.53
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.43
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide (CID 42095240) is N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide is Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1.

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

The InChIKey is MTLGDRNTLPPLMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-13-18(25-29-24-13)10-20(28)26-8-2-3-14(12-26)5-7-19(27)23-11-15-4-6-16(21)17(22)9-15/h4,6,9,14H,2-3,5,7-8,10-12H2,1H3,(H,23,27)/t14-/m0/s1.

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

N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 406.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42095240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).