2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C23H28FN3O2 — CID 95809077

About 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95809077) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
• PubChem CID: 95809077
• Molecular Formula: C23H28FN3O2
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.22
• IUPAC Name: 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
• SMILES: O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1
• InChI: InChI=1S/C23H28FN3O2/c24-21-8-2-1-5-18(21)15-20-7-3-9-22(25-20)19-6-4-10-26(16-19)17-23(28)27-11-13-29-14-12-27/h1-3,5,7-9,19H,4,6,10-17H2/t19-/m0/s1
• InChIKey: SFAQEQJMMPWKTN-IBGZPJMESA-N
• XLogP: 2.85
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 95809077) is 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1.

What is the InChIKey of 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?

The InChIKey is SFAQEQJMMPWKTN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-21-8-2-1-5-18(21)15-20-7-3-9-22(25-20)19-6-4-10-26(16-19)17-23(28)27-11-13-29-14-12-27/h1-3,5,7-9,19H,4,6,10-17H2/t19-/m0/s1.

What are the key properties of 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?

2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 397.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95809077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).