1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C25H34FN3O5 — CID 125017416

About 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 125017416) has the molecular formula C25H34FN3O5 and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
• PubChem CID: 125017416
• Molecular Formula: C25H34FN3O5
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.25
• IUPAC Name: 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
• SMILES: O=C1CCCN1CCC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1
• InChI: InChI=1S/C25H34FN3O5/c26-20-4-6-21(7-5-20)34-19-25(17-24(32)28-13-15-33-16-14-28)9-2-11-29(18-25)23(31)8-12-27-10-1-3-22(27)30/h4-7H,1-3,8-19H2/t25-/m0/s1
• InChIKey: XHFYNQDRYXYYKI-VWLOTQADSA-N
• XLogP: 2.07
• TPSA: 79.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?

The IUPAC name of 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 125017416) is 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1.

What is the InChIKey of 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?

The InChIKey is XHFYNQDRYXYYKI-VWLOTQADSA-N. The full InChI is InChI=1S/C25H34FN3O5/c26-20-4-6-21(7-5-20)34-19-25(17-24(32)28-13-15-33-16-14-28)9-2-11-29(18-25)23(31)8-12-27-10-1-3-22(27)30/h4-7H,1-3,8-19H2/t25-/m0/s1.

What are the key properties of 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?

1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 475.56 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 125017416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).