3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide

C19H27FN4O3 — CID 120578113

About 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578113) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
• PubChem CID: 120578113
• Molecular Formula: C19H27FN4O3
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.21
• IUPAC Name: 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
• SMILES: NCCC(=O)NCC1CCCCN1C(=O)CNC(=O)Cc1cccc(F)c1
• InChI: InChI=1S/C19H27FN4O3/c20-15-5-3-4-14(10-15)11-18(26)23-13-19(27)24-9-2-1-6-16(24)12-22-17(25)7-8-21/h3-5,10,16H,1-2,6-9,11-13,21H2,(H,22,25)(H,23,26)
• InChIKey: OEMKCXTXGMGVNO-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide?

The IUPAC name of 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide (CID 120578113) is 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide.

What is the SMILES notation for 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide?

The canonical SMILES for 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CNC(=O)Cc1cccc(F)c1.

What is the InChIKey of 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide?

The InChIKey is OEMKCXTXGMGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c20-15-5-3-4-14(10-15)11-18(26)23-13-19(27)24-9-2-1-6-16(24)12-22-17(25)7-8-21/h3-5,10,16H,1-2,6-9,11-13,21H2,(H,22,25)(H,23,26).

What are the key properties of 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide?

3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).