N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C20H27F2N3O2 — CID 42214232

About N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 42214232) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 42214232
• Molecular Formula: C20H27F2N3O2
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.21
• IUPAC Name: N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1
• InChI: InChI=1S/C20H27F2N3O2/c1-14(26)23-11-19(27)25-10-7-16(13-25)15-5-8-24(9-6-15)12-17-3-2-4-18(21)20(17)22/h2-4,15-16H,5-13H2,1H3,(H,23,26)/t16-/m0/s1
• InChIKey: IVNBGKFVKAFPND-INIZCTEOSA-N
• XLogP: 2.16
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 42214232) is N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1.

What is the InChIKey of N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is IVNBGKFVKAFPND-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-14(26)23-11-19(27)25-10-7-16(13-25)15-5-8-24(9-6-15)12-17-3-2-4-18(21)20(17)22/h2-4,15-16H,5-13H2,1H3,(H,23,26)/t16-/m0/s1.

What are the key properties of N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 42214232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).