N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide

C20H26FN5O2 — CID 45228791

About N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide (PubChem CID 45228791) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
• PubChem CID: 45228791
• Molecular Formula: C20H26FN5O2
• Molecular Weight: 387.46 g/mol
• Exact Mass: 387.21
• IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
• SMILES: O=C(CCC1CCCN(C(=O)CCn2cncn2)C1)NCc1ccccc1F
• InChI: InChI=1S/C20H26FN5O2/c21-18-6-2-1-5-17(18)12-23-19(27)8-7-16-4-3-10-25(13-16)20(28)9-11-26-15-22-14-24-26/h1-2,5-6,14-16H,3-4,7-13H2,(H,23,27)
• InChIKey: XWLZTMKBFDNFHR-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.46
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide (CID 45228791) is N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)CCn2cncn2)C1)NCc1ccccc1F.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide?

The InChIKey is XWLZTMKBFDNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c21-18-6-2-1-5-17(18)12-23-19(27)8-7-16-4-3-10-25(13-16)20(28)9-11-26-15-22-14-24-26/h1-2,5-6,14-16H,3-4,7-13H2,(H,23,27).

What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide?

N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).