N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H22FN3O3 — CID 26331061

About N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 26331061) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 26331061
• Molecular Formula: C21H22FN3O3
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.16
• IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(Cc2ccccc2F)C1
• InChI: InChI=1S/C21H22FN3O3/c22-17-8-2-1-6-15(17)12-24-11-5-7-16(13-24)23-20(26)14-25-18-9-3-4-10-19(18)28-21(25)27/h1-4,6,8-10,16H,5,7,11-14H2,(H,23,26)/t16-/m0/s1
• InChIKey: DMKMUSDTOOFBMR-INIZCTEOSA-N
• XLogP: 2.51
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 26331061) is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(Cc2ccccc2F)C1.

What is the InChIKey of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is DMKMUSDTOOFBMR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-17-8-2-1-6-15(17)12-24-11-5-7-16(13-24)23-20(26)14-25-18-9-3-4-10-19(18)28-21(25)27/h1-4,6,8-10,16H,5,7,11-14H2,(H,23,26)/t16-/m0/s1.

What are the key properties of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 26331061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).